1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine

C7H11N7 — CID 170026346

IUPAC1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine
SMILESCC(N)n1cc(Cn2cncn2)nn1
InChIInChI=1S/C7H11N7/c1-6(8)14-3-7(11-12-14)2-13-5-9-4-10-13/h3-6H,2,8H2,1H3
InChIKeyMNTWHZBTDKJBJX-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.60
Rot. Bonds3

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

1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine (PubChem CID 170026346) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine
PubChem CID170026346
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine
SMILESCC(N)n1cc(Cn2cncn2)nn1
InChIInChI=1S/C7H11N7/c1-6(8)14-3-7(11-12-14)2-13-5-9-4-10-13/h3-6H,2,8H2,1H3
InChIKeyMNTWHZBTDKJBJX-UHFFFAOYSA-N
XLogP-0.60
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 ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine?
The IUPAC name of 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine (CID 170026346) is 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine.
What is the SMILES notation for 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine?
The canonical SMILES for 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine is CC(N)n1cc(Cn2cncn2)nn1.
What is the InChIKey of 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine?
The InChIKey is MNTWHZBTDKJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-6(8)14-3-7(11-12-14)2-13-5-9-4-10-13/h3-6H,2,8H2,1H3.
What are the key properties of 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine?
1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine has a molecular weight of 193.21 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]ethanamine is sourced from PubChem (CID 170026346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).