N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

C12H24N4 — CID 170534813

IUPACN-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCC(C)CC(Cn1cncn1)NC(C)(C)C
InChIInChI=1S/C12H24N4/c1-10(2)6-11(15-12(3,4)5)7-16-9-13-8-14-16/h8-11,15H,6-7H2,1-5H3
InChIKeyMNSFBJMLLODJTH-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds5

About N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (PubChem CID 170534813) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
PubChem CID170534813
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCC(C)CC(Cn1cncn1)NC(C)(C)C
InChIInChI=1S/C12H24N4/c1-10(2)6-11(15-12(3,4)5)7-16-9-13-8-14-16/h8-11,15H,6-7H2,1-5H3
InChIKeyMNSFBJMLLODJTH-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-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-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The IUPAC name of N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (CID 170534813) is N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The canonical SMILES for N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is CC(C)CC(Cn1cncn1)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The InChIKey is MNSFBJMLLODJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)6-11(15-12(3,4)5)7-16-9-13-8-14-16/h8-11,15H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is sourced from PubChem (CID 170534813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).