4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine

C9H15FN4 — CID 130603305

IUPAC4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine
SMILESCn1ncc(C2(F)CCC(N)CC2)n1
InChIInChI=1S/C9H15FN4/c1-14-12-6-8(13-14)9(10)4-2-7(11)3-5-9/h6-7H,2-5,11H2,1H3
InChIKeyMNRUFOBGXBVZRH-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.88
Rot. Bonds1

About 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine

4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine (PubChem CID 130603305) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine
PubChem CID130603305
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine
SMILESCn1ncc(C2(F)CCC(N)CC2)n1
InChIInChI=1S/C9H15FN4/c1-14-12-6-8(13-14)9(10)4-2-7(11)3-5-9/h6-7H,2-5,11H2,1H3
InChIKeyMNRUFOBGXBVZRH-UHFFFAOYSA-N
XLogP0.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine
CID 114667623
6-(2-methyltriazol-4-yl)bicyclo[3.1.0]hexan-6-ol
CID 130521201
4-(3,3-difluoro-1-propan-2-ylcyclobutyl)-2-methyltriazole
CID 139525506
N,3-dimethyl-3-(2-methyltriazol-4-yl)cyclopentan-1-amine
CID 130603161
4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112562313
4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine
CID 112562516
3-fluoro-3-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 112567374
3,3-dimethyl-1-(2-methyltriazol-4-yl)cyclopentan-1-ol
CID 130602247
3-fluoro-3-pyridin-3-ylcyclopentan-1-amine
CID 112565744
3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 112567552
1-(2-methyltriazol-4-yl)-2-propylcyclopropan-1-ol
CID 130521199
4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
CID 112562268

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine (CID 130603305) is 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine is Cn1ncc(C2(F)CCC(N)CC2)n1.
What is the InChIKey of 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine?
The InChIKey is MNRUFOBGXBVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-14-12-6-8(13-14)9(10)4-2-7(11)3-5-9/h6-7H,2-5,11H2,1H3.
What are the key properties of 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine?
4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine has a molecular weight of 198.24 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 130603305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).