1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one

C54H62N28O8 — CID 159706232

IUPAC1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one
SMILES[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2C)c(C)c1.[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2C2CC2)c(C)c1.[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2CC)c(C)c1.[3H]c1ccc(OCc2n[nH]nc2-n2nnn(C)c2=O)c(C)c1
InChIInChI=1S/C15H17N7O2.C14H17N7O2.C13H15N7O2.C12H13N7O2/c1-10-5-3-4-6-13(10)24-9-12-14(16-17-21(12)11-7-8-11)22-15(23)20(2)18-19-22;1-4-20-11(9-23-12-8-6-5-7-10(12)2)13(15-16-20)21-14(22)19(3)17-18-21;1-9-6-4-5-7-11(9)22-8-10-12(14-15-18(10)2)20-13(21)19(3)16-17-20;1-8-5-3-4-6-10(8)21-7-9-11(14-15-13-9)19-12(20)18(2)16-17-19/h3-6,11H,7-9H2,1-2H3;5-8H,4,9H2,1-3H3;4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,13,14,15)/i3T;5T;4T;3T
InChIKeyMYGBRKYMFAXRSK-AVJLAINKSA-N
MW1239.31 g/mol
LogP1.20
Rot. Bonds18

About 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one

1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one (PubChem CID 159706232) has the molecular formula C54H62N28O8 and a molecular weight of 1239.31 g/mol. Its IUPAC name is 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one
PubChem CID159706232
Molecular FormulaC54H62N28O8
Molecular Weight1239.31 g/mol
Exact Mass1238.56
IUPAC Name1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one
SMILES[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2C)c(C)c1.[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2C2CC2)c(C)c1.[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2CC)c(C)c1.[3H]c1ccc(OCc2n[nH]nc2-n2nnn(C)c2=O)c(C)c1
InChIInChI=1S/C15H17N7O2.C14H17N7O2.C13H15N7O2.C12H13N7O2/c1-10-5-3-4-6-13(10)24-9-12-14(16-17-21(12)11-7-8-11)22-15(23)20(2)18-19-22;1-4-20-11(9-23-12-8-6-5-7-10(12)2)13(15-16-20)21-14(22)19(3)17-18-21;1-9-6-4-5-7-11(9)22-8-10-12(14-15-18(10)2)20-13(21)19(3)16-17-20;1-8-5-3-4-6-10(8)21-7-9-11(14-15-13-9)19-12(20)18(2)16-17-19/h3-6,11H,7-9H2,1-2H3;5-8H,4,9H2,1-3H3;4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,13,14,15)/i3T;5T;4T;3T
InChIKeyMYGBRKYMFAXRSK-AVJLAINKSA-N
XLogP1.20
TPSA381.46 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one with MolForge

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Related Compounds

1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one
CID 140740317
1-[1-cyclopropyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]triazol-4-yl]-4-methyltetrazol-5-one
CID 140740806
1-methyl-4-[1-methyl-3-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-4-yl]tetrazol-5-one
CID 140740632
1-[1-tert-butyl-5-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-4-yl]-4-methyltetrazol-5-one
CID 140740332
1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1H-pyrazol-4-yl]tetrazol-5-one
CID 140740286
1-[5-ethynyl-4-[(2-methyl-4-tritiophenoxy)methyl]pyridazin-3-yl]-4-methyltetrazol-5-one
CID 140740837
1-[6-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]pyrimidin-4-yl]-4-methyltetrazol-5-one;1-[6-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]pyrimidin-4-yl]-4-methyltetrazol-5-one;1-[6-iodo-5-[(2-methyl-4-tritiophenoxy)methyl]pyrimidin-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[6-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]pyrimidin-4-yl]tetrazol-5-one
CID 160732495
1-[3-chloro-1-methyl-4-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-5-yl]-4-methyltetrazol-5-one
CID 140740172
1-[4-ethyl-3-[(2-methyl-4-tritiophenoxy)methyl]thiophen-2-yl]-4-methyltetrazol-5-one
CID 140740561
1-[4-fluoro-3-[(2-methyl-4-tritiophenoxy)methyl]thiophen-2-yl]-4-methyltetrazol-5-one
CID 140740780
1-methyl-4-[3-[(2-methyl-4-tritiophenoxy)methyl]-4-pyridinyl]tetrazol-5-one
CID 140740244
1-[3-fluoro-4-[(2-methyl-4-tritiophenoxy)methyl]-1,2-oxazol-5-yl]-4-methyltetrazol-5-one
CID 140740801

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one?
The IUPAC name of 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one (CID 159706232) is 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one.
What is the SMILES notation for 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one?
The canonical SMILES for 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one is [3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2C)c(C)c1.[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2C2CC2)c(C)c1.[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)nnn2CC)c(C)c1.[3H]c1ccc(OCc2n[nH]nc2-n2nnn(C)c2=O)c(C)c1.
What is the InChIKey of 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one?
The InChIKey is MYGBRKYMFAXRSK-AVJLAINKSA-N. The full InChI is InChI=1S/C15H17N7O2.C14H17N7O2.C13H15N7O2.C12H13N7O2/c1-10-5-3-4-6-13(10)24-9-12-14(16-17-21(12)11-7-8-11)22-15(23)20(2)18-19-22;1-4-20-11(9-23-12-8-6-5-7-10(12)2)13(15-16-20)21-14(22)19(3)17-18-21;1-9-6-4-5-7-11(9)22-8-10-12(14-15-18(10)2)20-13(21)19(3)16-17-20;1-8-5-3-4-6-10(8)21-7-9-11(14-15-13-9)19-12(20)18(2)16-17-19/h3-6,11H,7-9H2,1-2H3;5-8H,4,9H2,1-3H3;4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,13,14,15)/i3T;5T;4T;3T.
What are the key properties of 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one?
1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one has a molecular weight of 1239.31 g/mol, XLogP of 1.20, 18 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-[1-ethyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]-4-methyltetrazol-5-one;1-methyl-4-[1-methyl-5-[(2-methyl-4-tritiophenoxy)methyl]triazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-2H-triazol-4-yl]tetrazol-5-one is sourced from PubChem (CID 159706232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).