2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine

C9H17FN4 — CID 112567719

IUPAC2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
SMILESCCCC(F)(CN)Cc1ncnn1C
InChIInChI=1S/C9H17FN4/c1-3-4-9(10,6-11)5-8-12-7-13-14(8)2/h7H,3-6,11H2,1-2H3
InChIKeyOCBSHOJANWKYKA-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.82
Rot. Bonds5

About 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine

2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine (PubChem CID 112567719) has the molecular formula C9H17FN4 and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
PubChem CID112567719
Molecular FormulaC9H17FN4
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC Name2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
SMILESCCCC(F)(CN)Cc1ncnn1C
InChIInChI=1S/C9H17FN4/c1-3-4-9(10,6-11)5-8-12-7-13-14(8)2/h7H,3-6,11H2,1-2H3
InChIKeyOCBSHOJANWKYKA-UHFFFAOYSA-N
XLogP0.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
1-(2-Fluoroethyl)-3-heptyl-1,2,4-triazole
CID 21869096
3-Decyl-1-(2-fluoroethyl)-1,2,4-triazole
CID 21869107
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
1-(2,2-Difluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500044
1-(2-Fluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500103
4-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 146389227
6-[[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 170784706
1-Methyl-5-cyclopentyl-1H-1,2,4-triazole
CID 15496059
5-cyclohexyl-1-methyl-1H-1,2,4-triazole
CID 15496060

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
The IUPAC name of 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine (CID 112567719) is 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine is CCCC(F)(CN)Cc1ncnn1C.
What is the InChIKey of 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
The InChIKey is OCBSHOJANWKYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4/c1-3-4-9(10,6-11)5-8-12-7-13-14(8)2/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine?
2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine has a molecular weight of 200.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 112567719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).