trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine

C10H17FN4 — CID 164642380

IUPACtrans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1nncc1CN[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C10H17FN4/c1-15-8(7-13-14-15)6-12-10-5-3-2-4-9(10)11/h7,9-10,12H,2-6H2,1H3/t9-,10-/m0/s1
InChIKeyHRZWRDSVXRZXKP-UWVGGRQHSA-N
MW212.27 g/mol
LogP1.19
Rot. Bonds3

About trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine

trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 164642380) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID164642380
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Nametrans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1nncc1CN[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C10H17FN4/c1-15-8(7-13-14-15)6-12-10-5-3-2-4-9(10)11/h7,9-10,12H,2-6H2,1H3/t9-,10-/m0/s1
InChIKeyHRZWRDSVXRZXKP-UWVGGRQHSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine (CID 164642380) is trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine is Cn1nncc1CN[C@H]1CCCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is HRZWRDSVXRZXKP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17FN4/c1-15-8(7-13-14-15)6-12-10-5-3-2-4-9(10)11/h7,9-10,12H,2-6H2,1H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 212.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 164642380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).