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

C7H11N7 — CID 131182974

IUPAC2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1cc(CNc2ncnn2C)nn1
InChIInChI=1S/C7H11N7/c1-13-4-6(11-12-13)3-8-7-9-5-10-14(7)2/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyAAVNNZQLWQGNGX-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.44
Rot. Bonds3

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

2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 131182974) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID131182974
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1cc(CNc2ncnn2C)nn1
InChIInChI=1S/C7H11N7/c1-13-4-6(11-12-13)3-8-7-9-5-10-14(7)2/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyAAVNNZQLWQGNGX-UHFFFAOYSA-N
XLogP-0.44
TPSA73.45 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 ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 131182974) is 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is Cn1cc(CNc2ncnn2C)nn1.
What is the InChIKey of 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is AAVNNZQLWQGNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-13-4-6(11-12-13)3-8-7-9-5-10-14(7)2/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 193.21 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 131182974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).