3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine

C12H22N4O — CID 79465508

IUPAC3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine
SMILESCCCn1ncnc1COC1CCCC(N)C1
InChIInChI=1S/C12H22N4O/c1-2-6-16-12(14-9-15-16)8-17-11-5-3-4-10(13)7-11/h9-11H,2-8,13H2,1H3
InChIKeyLNLJCVKDUFKJIE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds5

About 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine

3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine (PubChem CID 79465508) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine
PubChem CID79465508
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine
SMILESCCCn1ncnc1COC1CCCC(N)C1
InChIInChI=1S/C12H22N4O/c1-2-6-16-12(14-9-15-16)8-17-11-5-3-4-10(13)7-11/h9-11H,2-8,13H2,1H3
InChIKeyLNLJCVKDUFKJIE-UHFFFAOYSA-N
XLogP1.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine?
The IUPAC name of 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine (CID 79465508) is 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine is CCCn1ncnc1COC1CCCC(N)C1.
What is the InChIKey of 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine?
The InChIKey is LNLJCVKDUFKJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-6-16-12(14-9-15-16)8-17-11-5-3-4-10(13)7-11/h9-11H,2-8,13H2,1H3.
What are the key properties of 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine?
3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 79465508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).