1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine

C10H18N4 — CID 126984507

IUPAC1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1ncc(CC2(N)CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-14-12-8-9(13-14)7-10(11)5-3-2-4-6-10/h8H,2-7,11H2,1H3
InChIKeyDUKZVZADRIBCLI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.02
Rot. Bonds2

About 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine

1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 126984507) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID126984507
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1ncc(CC2(N)CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-14-12-8-9(13-14)7-10(11)5-3-2-4-6-10/h8H,2-7,11H2,1H3
InChIKeyDUKZVZADRIBCLI-UHFFFAOYSA-N
XLogP1.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine (CID 126984507) is 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine is Cn1ncc(CC2(N)CCCCC2)n1.
What is the InChIKey of 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is DUKZVZADRIBCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-12-8-9(13-14)7-10(11)5-3-2-4-6-10/h8H,2-7,11H2,1H3.
What are the key properties of 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 126984507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).