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

C12H22N4 — CID 81011017

IUPAC[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCn1ncnc1CC1CCCCC1CN
InChIInChI=1S/C12H22N4/c1-2-16-12(14-9-15-16)7-10-5-3-4-6-11(10)8-13/h9-11H,2-8,13H2,1H3
InChIKeyLNGFAALVPHSPEH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.61
Rot. Bonds4

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

[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 81011017) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID81011017
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCn1ncnc1CC1CCCCC1CN
InChIInChI=1S/C12H22N4/c1-2-16-12(14-9-15-16)7-10-5-3-4-6-11(10)8-13/h9-11H,2-8,13H2,1H3
InChIKeyLNGFAALVPHSPEH-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (CID 81011017) is [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is CCn1ncnc1CC1CCCCC1CN.
What is the InChIKey of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is LNGFAALVPHSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-16-12(14-9-15-16)7-10-5-3-4-6-11(10)8-13/h9-11H,2-8,13H2,1H3.
What are the key properties of [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).