2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine

C7H11N7 — CID 130598934

IUPAC2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine
SMILESCn1cc(-c2cn(CCN)nn2)nn1
InChIInChI=1S/C7H11N7/c1-13-4-6(9-11-13)7-5-14(3-2-8)12-10-7/h4-5H,2-3,8H2,1H3
InChIKeyMKIBZLBAXZXNRC-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.97
Rot. Bonds3

About 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine

2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine (PubChem CID 130598934) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine
PubChem CID130598934
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine
SMILESCn1cc(-c2cn(CCN)nn2)nn1
InChIInChI=1S/C7H11N7/c1-13-4-6(9-11-13)7-5-14(3-2-8)12-10-7/h4-5H,2-3,8H2,1H3
InChIKeyMKIBZLBAXZXNRC-UHFFFAOYSA-N
XLogP-0.97
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 ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine (CID 130598934) is 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine is Cn1cc(-c2cn(CCN)nn2)nn1.
What is the InChIKey of 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine?
The InChIKey is MKIBZLBAXZXNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-13-4-6(9-11-13)7-5-14(3-2-8)12-10-7/h4-5H,2-3,8H2,1H3.
What are the key properties of 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine?
2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine has a molecular weight of 193.21 g/mol, XLogP of -0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyltriazol-4-yl)triazol-1-yl]ethanamine is sourced from PubChem (CID 130598934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).