1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole

C10H13N9 — CID 57317093

IUPAC1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole
SMILESCC(Cn1ccnn1)(Cn1cnnn1)n1ccnc1
InChIInChI=1S/C10H13N9/c1-10(17-4-2-11-8-17,6-18-5-3-12-15-18)7-19-9-13-14-16-19/h2-5,8-9H,6-7H2,1H3
InChIKeyWGTDLVYMHPSIJS-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.42
Rot. Bonds5

About 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole

1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole (PubChem CID 57317093) has the molecular formula C10H13N9 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole.

Molecular Properties

Compound Name1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole
PubChem CID57317093
Molecular FormulaC10H13N9
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole
SMILESCC(Cn1ccnn1)(Cn1cnnn1)n1ccnc1
InChIInChI=1S/C10H13N9/c1-10(17-4-2-11-8-17,6-18-5-3-12-15-18)7-19-9-13-14-16-19/h2-5,8-9H,6-7H2,1H3
InChIKeyWGTDLVYMHPSIJS-UHFFFAOYSA-N
XLogP-0.42
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-propyl-1'-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H,1'H-2,2'-biimidazole
CID 70750230
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928265
Imidazolate nitrogen
CID 129652019
4-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-4H-1,2,4-triazole
CID 50965463
1-ethyl-5-{1-[2-(1H-imidazol-1-yl)ethyl]-1H-imidazol-2-yl}-1H-1,2,4-triazole
CID 56877055
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 71943990
1-tert-butyl-5-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-3-methyl-1H-1,2,4-triazole
CID 72927815
C4 H6 B N6, C5 H9 N2
CID 139103907
5-[[3-[2-(2H-tetrazol-5-yl)ethyl]imidazol-1-ium-1-yl]methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
CID 139181549
1-[3-(1H-imidazol-1-yl)propyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 56748562
1-[2-[1,2-Bis(3-imidazol-1-ylpropyl)diaziridin-3-yl]ethyl]imidazole
CID 24827347
1-Methyl-3-[3-[3-[3-(3-propan-2-ylimidazol-1-ium-1-yl)propyl]imidazol-1-ium-1-yl]propyl]imidazol-1-ium
CID 21364634

Frequently Asked Questions

What is the IUPAC name of 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole?
The IUPAC name of 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole (CID 57317093) is 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole.
What is the SMILES notation for 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole?
The canonical SMILES for 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole is CC(Cn1ccnn1)(Cn1cnnn1)n1ccnc1.
What is the InChIKey of 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole?
The InChIKey is WGTDLVYMHPSIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N9/c1-10(17-4-2-11-8-17,6-18-5-3-12-15-18)7-19-9-13-14-16-19/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole?
1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole has a molecular weight of 259.28 g/mol, XLogP of -0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imidazol-1-yl-2-methyl-3-(triazol-1-yl)propyl]tetrazole is sourced from PubChem (CID 57317093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).