N-(2-methylpropyl)-1,2,4-triazol-4-amine

C6H12N4 — CID 3539625

IUPACN-(2-methylpropyl)-1,2,4-triazol-4-amine
SMILESCC(C)CNn1cnnc1
InChIInChI=1S/C6H12N4/c1-6(2)3-9-10-4-7-8-5-10/h4-6,9H,3H2,1-2H3
InChIKeySENWNKCNZHZGDN-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.48
Rot. Bonds3

About N-(2-methylpropyl)-1,2,4-triazol-4-amine

N-(2-methylpropyl)-1,2,4-triazol-4-amine (PubChem CID 3539625) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,2,4-triazol-4-amine
PubChem CID3539625
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-(2-methylpropyl)-1,2,4-triazol-4-amine
SMILESCC(C)CNn1cnnc1
InChIInChI=1S/C6H12N4/c1-6(2)3-9-10-4-7-8-5-10/h4-6,9H,3H2,1-2H3
InChIKeySENWNKCNZHZGDN-UHFFFAOYSA-N
XLogP0.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1,2,4-triazol-4-amine?
The IUPAC name of N-(2-methylpropyl)-1,2,4-triazol-4-amine (CID 3539625) is N-(2-methylpropyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-1,2,4-triazol-4-amine?
The canonical SMILES for N-(2-methylpropyl)-1,2,4-triazol-4-amine is CC(C)CNn1cnnc1.
What is the InChIKey of N-(2-methylpropyl)-1,2,4-triazol-4-amine?
The InChIKey is SENWNKCNZHZGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2)3-9-10-4-7-8-5-10/h4-6,9H,3H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-1,2,4-triazol-4-amine?
N-(2-methylpropyl)-1,2,4-triazol-4-amine has a molecular weight of 140.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 3539625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).