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

C11H19FN4 — CID 112565806

IUPAC3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCCn1ncnc1CC1(F)CCC(N)C1
InChIInChI=1S/C11H19FN4/c1-2-5-16-10(14-8-15-16)7-11(12)4-3-9(13)6-11/h8-9H,2-7,13H2,1H3
InChIKeyLEPIRUUEFAHSTI-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.45
Rot. Bonds4

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

3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 112565806) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID112565806
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCCn1ncnc1CC1(F)CCC(N)C1
InChIInChI=1S/C11H19FN4/c1-2-5-16-10(14-8-15-16)7-11(12)4-3-9(13)6-11/h8-9H,2-7,13H2,1H3
InChIKeyLEPIRUUEFAHSTI-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112567589
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 112565739
3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 116538769
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclobutan-1-amine
CID 112564080
4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112562313
N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025559
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025427
N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66023773
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole
CID 66465162
3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine
CID 79465508
1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587159

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 112565806) is 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is CCCn1ncnc1CC1(F)CCC(N)C1.
What is the InChIKey of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is LEPIRUUEFAHSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-2-5-16-10(14-8-15-16)7-11(12)4-3-9(13)6-11/h8-9H,2-7,13H2,1H3.
What are the key properties of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 226.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 112565806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).