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

C13H24N4O — CID 62711590

IUPAC[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine
SMILESCOCCn1cnnc1CC1(CN)CCCCC1
InChIInChI=1S/C13H24N4O/c1-18-8-7-17-11-15-16-12(17)9-13(10-14)5-3-2-4-6-13/h11H,2-10,14H2,1H3
InChIKeyCYHJFQLXRGAFCJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.38
Rot. Bonds6

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

[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine (PubChem CID 62711590) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine
PubChem CID62711590
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine
SMILESCOCCn1cnnc1CC1(CN)CCCCC1
InChIInChI=1S/C13H24N4O/c1-18-8-7-17-11-15-16-12(17)9-13(10-14)5-3-2-4-6-13/h11H,2-10,14H2,1H3
InChIKeyCYHJFQLXRGAFCJ-UHFFFAOYSA-N
XLogP1.38
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine (CID 62711590) is [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine is COCCn1cnnc1CC1(CN)CCCCC1.
What is the InChIKey of [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine?
The InChIKey is CYHJFQLXRGAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-18-8-7-17-11-15-16-12(17)9-13(10-14)5-3-2-4-6-13/h11H,2-10,14H2,1H3.
What are the key properties of [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine?
[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 62711590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).