[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

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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).