[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine

C7H11N7 — CID 62448120

IUPAC[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C7H11N7/c8-3-7-4-13(12-11-7)1-2-14-6-9-5-10-14/h4-6H,1-3,8H2
InChIKeyCXKQEFAIPJTPRP-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.97
Rot. Bonds4

About [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine

[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 62448120) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID62448120
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C7H11N7/c8-3-7-4-13(12-11-7)1-2-14-6-9-5-10-14/h4-6H,1-3,8H2
InChIKeyCXKQEFAIPJTPRP-UHFFFAOYSA-N
XLogP-0.97
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine (CID 62448120) is [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine is NCc1cn(CCn2cncn2)nn1.
What is the InChIKey of [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is CXKQEFAIPJTPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c8-3-7-4-13(12-11-7)1-2-14-6-9-5-10-14/h4-6H,1-3,8H2.
What are the key properties of [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 193.21 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62448120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).