1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one

C16H18N6O2 — CID 140740317

IUPAC1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one
SMILES[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)ncn2C2CC2)c(C)c1
InChIInChI=1S/C16H18N6O2/c1-11-5-3-4-6-14(11)24-9-13-15(17-10-21(13)12-7-8-12)22-16(23)20(2)18-19-22/h3-6,10,12H,7-9H2,1-2H3/i3T
InChIKeyHPFPSEVHXQUGDA-WJULDGBESA-N
MW328.37 g/mol
LogP1.38
Rot. Bonds5

About 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one

1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one (PubChem CID 140740317) has the molecular formula C16H18N6O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one
PubChem CID140740317
Molecular FormulaC16H18N6O2
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one
SMILES[3H]c1ccc(OCc2c(-n3nnn(C)c3=O)ncn2C2CC2)c(C)c1
InChIInChI=1S/C16H18N6O2/c1-11-5-3-4-6-14(11)24-9-13-15(17-10-21(13)12-7-8-12)22-16(23)20(2)18-19-22/h3-6,10,12H,7-9H2,1-2H3/i3T
InChIKeyHPFPSEVHXQUGDA-WJULDGBESA-N
XLogP1.38
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one with MolForge

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Related Compounds

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
1-methyl-4-[1-methyl-3-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-4-yl]tetrazol-5-one
CID 140740632
1-[3-chloro-1-methyl-4-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-5-yl]-4-methyltetrazol-5-one
CID 140740172
1-[1-tert-butyl-5-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-4-yl]-4-methyltetrazol-5-one
CID 140740332
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-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1H-pyrazol-4-yl]tetrazol-5-one
CID 140740286
1-[5-ethenyl-2-methyl-4-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-3-yl]-4-methyltetrazol-5-one
CID 140740822
1-[5-ethynyl-4-[(2-methyl-4-tritiophenoxy)methyl]pyridazin-3-yl]-4-methyltetrazol-5-one
CID 140740837
1-[4-fluoro-1-methyl-3-[(2-methyl-4-tritiophenoxy)methyl]pyrrol-2-yl]-4-methyltetrazol-5-one
CID 140740119
1-[2-chloro-3-[(2-methyl-4-tritiophenoxy)methyl]-4-pyridinyl]-4-methyltetrazol-5-one
CID 140740296
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]imidazol-4-yl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one (CID 140740317) is 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one is [3H]c1ccc(OCc2c(-n3nnn(C)c3=O)ncn2C2CC2)c(C)c1.
What is the InChIKey of 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one?
The InChIKey is HPFPSEVHXQUGDA-WJULDGBESA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-5-3-4-6-14(11)24-9-13-15(17-10-21(13)12-7-8-12)22-16(23)20(2)18-19-22/h3-6,10,12H,7-9H2,1-2H3/i3T.
What are the key properties of 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one?
1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one has a molecular weight of 328.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one is sourced from PubChem (CID 140740317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).