N-(2H-triazol-4-ylmethyl)propan-2-amine

C6H12N4 — CID 61320362

IUPACN-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cn[nH]n1
InChIInChI=1S/C6H12N4/c1-5(2)7-3-6-4-8-10-9-6/h4-5,7H,3H2,1-2H3,(H,8,9,10)
InChIKeyJEUMOIOISVIXPM-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.30
Rot. Bonds3

About N-(2H-triazol-4-ylmethyl)propan-2-amine

N-(2H-triazol-4-ylmethyl)propan-2-amine (PubChem CID 61320362) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)propan-2-amine
PubChem CID61320362
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cn[nH]n1
InChIInChI=1S/C6H12N4/c1-5(2)7-3-6-4-8-10-9-6/h4-5,7H,3H2,1-2H3,(H,8,9,10)
InChIKeyJEUMOIOISVIXPM-UHFFFAOYSA-N
XLogP0.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-triazol-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(2H-triazol-4-ylmethyl)propan-2-amine (CID 61320362) is N-(2H-triazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)propan-2-amine is CC(C)NCc1cn[nH]n1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)propan-2-amine?
The InChIKey is JEUMOIOISVIXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(2)7-3-6-4-8-10-9-6/h4-5,7H,3H2,1-2H3,(H,8,9,10).
What are the key properties of N-(2H-triazol-4-ylmethyl)propan-2-amine?
N-(2H-triazol-4-ylmethyl)propan-2-amine has a molecular weight of 140.19 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 61320362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).