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

C11H20N4O — CID 63044428

IUPAC3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCOCCn1cnnc1C1CCCC(N)C1
InChIInChI=1S/C11H20N4O/c1-16-6-5-15-8-13-14-11(15)9-3-2-4-10(12)7-9/h8-10H,2-7,12H2,1H3
InChIKeyCLVVEGGZUXZVOJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.91
Rot. Bonds4

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

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (PubChem CID 63044428) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
PubChem CID63044428
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCOCCn1cnnc1C1CCCC(N)C1
InChIInChI=1S/C11H20N4O/c1-16-6-5-15-8-13-14-11(15)9-3-2-4-10(12)7-9/h8-10H,2-7,12H2,1H3
InChIKeyCLVVEGGZUXZVOJ-UHFFFAOYSA-N
XLogP0.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (CID 63044428) is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is COCCn1cnnc1C1CCCC(N)C1.
What is the InChIKey of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The InChIKey is CLVVEGGZUXZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-6-5-15-8-13-14-11(15)9-3-2-4-10(12)7-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 63044428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).