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

C6H9N7 — CID 130591851

IUPAC1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1ncc(Cn2cnc(N)n2)n1
InChIInChI=1S/C6H9N7/c1-12-9-2-5(10-12)3-13-4-8-6(7)11-13/h2,4H,3H2,1H3,(H2,7,11)
InChIKeyVPJZOJWYOCNZQP-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.96
Rot. Bonds2

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

1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 130591851) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID130591851
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1ncc(Cn2cnc(N)n2)n1
InChIInChI=1S/C6H9N7/c1-12-9-2-5(10-12)3-13-4-8-6(7)11-13/h2,4H,3H2,1H3,(H2,7,11)
InChIKeyVPJZOJWYOCNZQP-UHFFFAOYSA-N
XLogP-0.96
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
4-(1,2,4-triazol-1-yl)-4-(2H-triazol-4-yl)triazole
CID 57185054
1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351
4-(Imidazol-1-ylmethyl)-2-methyltriazole
CID 130588259
2-[4-(Tetrazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 141530368
1-Methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole
CID 146512223
1-[(2-Methyltriazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 166846758
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 168909727
1-[4-(1,2,4-Triazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 170026346
N-[[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 55072785
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 55073461

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 130591851) is 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is Cn1ncc(Cn2cnc(N)n2)n1.
What is the InChIKey of 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is VPJZOJWYOCNZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-12-9-2-5(10-12)3-13-4-8-6(7)11-13/h2,4H,3H2,1H3,(H2,7,11).
What are the key properties of 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 179.19 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130591851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).