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

C8H16N4 — CID 130614573

IUPACN,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)n1cncn1
InChIInChI=1S/C8H16N4/c1-7(9-4)8(2,3)12-6-10-5-11-12/h5-7,9H,1-4H3
InChIKeyFRIDSFKAQYLYBI-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.62
Rot. Bonds3

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

N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine (PubChem CID 130614573) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine
PubChem CID130614573
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)n1cncn1
InChIInChI=1S/C8H16N4/c1-7(9-4)8(2,3)12-6-10-5-11-12/h5-7,9H,1-4H3
InChIKeyFRIDSFKAQYLYBI-UHFFFAOYSA-N
XLogP0.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-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

Related Compounds

1-(2,3,3,4-tetramethylpentan-2-yl)-1,2,4-triazole
CID 170045826
2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide
CID 2764118
2-chloro-N-[2-methyl-1-phenyl-2-(1,2,4-triazol-1-yl)propyl]aniline
CID 11381827
sodium;2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one;hydroxide
CID 140668472
2-methyl-1-(4-propan-2-ylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 3686146
bis(8-methylnonyl) 2-bromo-2-(1,2,4-triazol-1-yl)propanedioate
CID 19788770
1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole
CID 161434506
(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide
CID 88750347
3-phenoxy-3-(1,2,4-triazol-1-yl)butan-2-one
CID 163491531
N-tert-butyl-3-(1,2,4-triazol-1-yl)butan-1-amine
CID 62449057
5-(4-chlorophenyl)-2,2-dimethyl-3-(1,2,4-triazol-1-yl)hexan-3-ol
CID 18999470
1-(3-methylbutan-2-yl)-1,2,4-triazole
CID 58125125

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine?
The IUPAC name of N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine (CID 130614573) is N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine is CNC(C)C(C)(C)n1cncn1.
What is the InChIKey of N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine?
The InChIKey is FRIDSFKAQYLYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(9-4)8(2,3)12-6-10-5-11-12/h5-7,9H,1-4H3.
What are the key properties of N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine?
N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine is sourced from PubChem (CID 130614573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).