N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine

C10H20N4 — CID 62449057

IUPACN-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine
SMILESCC(CCNC(C)(C)C)n1cncn1
InChIInChI=1S/C10H20N4/c1-9(14-8-11-7-13-14)5-6-12-10(2,3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyFWXPBAKUYDAIBA-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.62
Rot. Bonds4

About N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine

N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine (PubChem CID 62449057) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine
PubChem CID62449057
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine
SMILESCC(CCNC(C)(C)C)n1cncn1
InChIInChI=1S/C10H20N4/c1-9(14-8-11-7-13-14)5-6-12-10(2,3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyFWXPBAKUYDAIBA-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine 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 N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine (CID 62449057) is N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine is CC(CCNC(C)(C)C)n1cncn1.
What is the InChIKey of N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine?
The InChIKey is FWXPBAKUYDAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(14-8-11-7-13-14)5-6-12-10(2,3)4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine?
N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine is sourced from PubChem (CID 62449057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).