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

C6H11FN4 — CID 112562610

IUPAC2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCn1ncnc1CC(F)CN
InChIInChI=1S/C6H11FN4/c1-11-6(9-4-10-11)2-5(7)3-8/h4-5H,2-3,8H2,1H3
InChIKeyLVUODBMAHZYQDO-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.35
Rot. Bonds3

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

2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 112562610) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID112562610
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCn1ncnc1CC(F)CN
InChIInChI=1S/C6H11FN4/c1-11-6(9-4-10-11)2-5(7)3-8/h4-5H,2-3,8H2,1H3
InChIKeyLVUODBMAHZYQDO-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
1-chloro-1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575167
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79434797
1-(4-tert-butylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997926
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 115649274
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105107171
1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66001850
5-[2-(bromomethyl)butyl]-1-methyl-1,2,4-triazole
CID 66043454

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 112562610) is 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is Cn1ncnc1CC(F)CN.
What is the InChIKey of 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is LVUODBMAHZYQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-11-6(9-4-10-11)2-5(7)3-8/h4-5H,2-3,8H2,1H3.
What are the key properties of 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 158.18 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 112562610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).