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

C13H22N4 — CID 62694906

IUPAC[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nncn2C2CC2)CCCCC1
InChIInChI=1S/C13H22N4/c14-9-13(6-2-1-3-7-13)8-12-16-15-10-17(12)11-4-5-11/h10-11H,1-9,14H2
InChIKeyDDVUVQPAIBCZRI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.06
Rot. Bonds4

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

[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 62694906) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID62694906
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nncn2C2CC2)CCCCC1
InChIInChI=1S/C13H22N4/c14-9-13(6-2-1-3-7-13)8-12-16-15-10-17(12)11-4-5-11/h10-11H,1-9,14H2
InChIKeyDDVUVQPAIBCZRI-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 62697011
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987230
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451900
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
CID 64672693
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443144
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62710749
[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443141
(2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methylpentan-1-amine
CID 104916252

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (CID 62694906) is [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is NCC1(Cc2nncn2C2CC2)CCCCC1.
What is the InChIKey of [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is DDVUVQPAIBCZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c14-9-13(6-2-1-3-7-13)8-12-16-15-10-17(12)11-4-5-11/h10-11H,1-9,14H2.
What are the key properties of [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 62694906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).