[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine

C7H11N7 — CID 107052758

IUPAC[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCn1cc(Cn2cnc(CN)n2)nn1
InChIInChI=1S/C7H11N7/c1-13-3-6(10-12-13)4-14-5-9-7(2-8)11-14/h3,5H,2,4,8H2,1H3
InChIKeyFHYFVDLDXXHAPW-UHFFFAOYSA-N
MW193.21 g/mol
LogP-1.09
Rot. Bonds3

About [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine

[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 107052758) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID107052758
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCn1cc(Cn2cnc(CN)n2)nn1
InChIInChI=1S/C7H11N7/c1-13-3-6(10-12-13)4-14-5-9-7(2-8)11-14/h3,5H,2,4,8H2,1H3
InChIKeyFHYFVDLDXXHAPW-UHFFFAOYSA-N
XLogP-1.09
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66191725
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
CID 66192538
N-(2,2-difluoroethyl)-5-(1-methyltriazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 136574787
3,4-Dimethyl-5-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 18726637
3,4-dimethyl-5-(2H-triazol-4-yl)-1,2,4-triazole
CID 18726653
1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
5-[(4-methyltriazol-1-yl)methyl]-1H-imidazol-2-amine
CID 57914419
N-methyl-1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methanamine
CID 66449763
N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66449959

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 107052758) is [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine is Cn1cc(Cn2cnc(CN)n2)nn1.
What is the InChIKey of [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is FHYFVDLDXXHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-13-3-6(10-12-13)4-14-5-9-7(2-8)11-14/h3,5H,2,4,8H2,1H3.
What are the key properties of [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine?
[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 193.21 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 107052758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).