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

C10H18N4 — CID 115309153

IUPAC[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine
SMILESCC1CCCCC1(CN)n1cnnc1
InChIInChI=1S/C10H18N4/c1-9-4-2-3-5-10(9,6-11)14-7-12-13-8-14/h7-9H,2-6,11H2,1H3
InChIKeyXXOCIOHZTVAINT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.14
Rot. Bonds2

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

[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine (PubChem CID 115309153) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine
PubChem CID115309153
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine
SMILESCC1CCCCC1(CN)n1cnnc1
InChIInChI=1S/C10H18N4/c1-9-4-2-3-5-10(9,6-11)14-7-12-13-8-14/h7-9H,2-6,11H2,1H3
InChIKeyXXOCIOHZTVAINT-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine?
The IUPAC name of [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine (CID 115309153) is [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine is CC1CCCCC1(CN)n1cnnc1.
What is the InChIKey of [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine?
The InChIKey is XXOCIOHZTVAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9-4-2-3-5-10(9,6-11)14-7-12-13-8-14/h7-9H,2-6,11H2,1H3.
What are the key properties of [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine?
[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115309153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).