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

C10H17FN4 — CID 112562313

IUPAC4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCn1ncnc1CC1(F)CCC(N)CC1
InChIInChI=1S/C10H17FN4/c1-15-9(13-7-14-15)6-10(11)4-2-8(12)3-5-10/h7-8H,2-6,12H2,1H3
InChIKeyHICQZNFTPNYZMX-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.97
Rot. Bonds2

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

4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 112562313) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID112562313
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCn1ncnc1CC1(F)CCC(N)CC1
InChIInChI=1S/C10H17FN4/c1-15-9(13-7-14-15)6-10(11)4-2-8(12)3-5-10/h7-8H,2-6,12H2,1H3
InChIKeyHICQZNFTPNYZMX-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.97
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]cyclopentan-1-amine
CID 112565806
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 112565739
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 66025326
3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112567589
3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 80705359
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
CID 112562505
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclobutan-1-amine
CID 112564080
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79120933
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 81014034
3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 116538769
[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
CID 114535692
5-[[4-(bromomethyl)oxan-4-yl]methyl]-1-methyl-1,2,4-triazole
CID 66049521

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 112562313) is 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is Cn1ncnc1CC1(F)CCC(N)CC1.
What is the InChIKey of 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is HICQZNFTPNYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-15-9(13-7-14-15)6-10(11)4-2-8(12)3-5-10/h7-8H,2-6,12H2,1H3.
What are the key properties of 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 212.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 112562313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).