2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine

C6H11FN4 — CID 84650762

IUPAC2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(F)(CN)Cn1cncn1
InChIInChI=1S/C6H11FN4/c1-6(7,2-8)3-11-5-9-4-10-11/h4-5H,2-3,8H2,1H3
InChIKeyVHBGYACUUGOKGX-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.04
Rot. Bonds3

About 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine

2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 84650762) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID84650762
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCC(F)(CN)Cn1cncn1
InChIInChI=1S/C6H11FN4/c1-6(7,2-8)3-11-5-9-4-10-11/h4-5H,2-3,8H2,1H3
InChIKeyVHBGYACUUGOKGX-UHFFFAOYSA-N
XLogP-0.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-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

Related Compounds

1H-1,2,4-Triazole-1-propanamine
CID 4379682
1H-1,2,4-Triazol-3-amine, 1-propyl-
CID 143566
1H-1,2,4-Triazol-3-amine, 1-ethyl-
CID 142619
1-Butyl-1,2,4-triazole
CID 22460
1H-1,2,4-Triazol-5-amine, 1-propyl-
CID 143567
1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 6484104
3-(1H-1,2,4-triazol-1-yl)propan-1-amine hydrochloride
CID 44119709
3-(1H-1,2,4-triazol-1-yl)propan-1-amine dihydrochloride
CID 53398793
1-(propan-2-yl)-1H-1,2,4-triazol-3-amine
CID 60912203
1-tert-butyl-1H-1,2,4-triazol-5-amine
CID 62678660
1-tert-butyl-1H-1,2,4-triazol-3-amine
CID 68176294
4-(3-Aminopropyl)-4H-1,2,4-triazole
CID 40430163

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 84650762) is 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine is CC(F)(CN)Cn1cncn1.
What is the InChIKey of 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is VHBGYACUUGOKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-6(7,2-8)3-11-5-9-4-10-11/h4-5H,2-3,8H2,1H3.
What are the key properties of 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 158.18 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 84650762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).