[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine

C15H20N4 — CID 117394631

IUPAC[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(-n3cncn3)c2)CCCCC1
InChIInChI=1S/C15H20N4/c16-10-15(7-2-1-3-8-15)13-5-4-6-14(9-13)19-12-17-11-18-19/h4-6,9,11-12H,1-3,7-8,10,16H2
InChIKeyJTCMERWBCWJWBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.43
Rot. Bonds3

About [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine

[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine (PubChem CID 117394631) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
PubChem CID117394631
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(-n3cncn3)c2)CCCCC1
InChIInChI=1S/C15H20N4/c16-10-15(7-2-1-3-8-15)13-5-4-6-14(9-13)19-12-17-11-18-19/h4-6,9,11-12H,1-3,7-8,10,16H2
InChIKeyJTCMERWBCWJWBF-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine
CID 117329120
[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentyl]methanamine
CID 117443432
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclobutyl]methanamine
CID 117331103
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]piperazine-2,3-dione
CID 117485632
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324544
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopropyl]methanamine
CID 117307056
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
CID 117408462

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine (CID 117394631) is [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine is NCC1(c2cccc(-n3cncn3)c2)CCCCC1.
What is the InChIKey of [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine?
The InChIKey is JTCMERWBCWJWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-10-15(7-2-1-3-8-15)13-5-4-6-14(9-13)19-12-17-11-18-19/h4-6,9,11-12H,1-3,7-8,10,16H2.
What are the key properties of [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine?
[1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1,2,4-triazol-1-yl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117394631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).