[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine

C11H22N4O — CID 112592767

IUPAC[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCCCc1nnc(CN)n1CCOC
InChIInChI=1S/C11H22N4O/c1-3-4-5-6-10-13-14-11(9-12)15(10)7-8-16-2/h3-9,12H2,1-2H3
InChIKeyXCIMCTLZWVILDJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.12
Rot. Bonds8

About [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine

[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112592767) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112592767
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCCCc1nnc(CN)n1CCOC
InChIInChI=1S/C11H22N4O/c1-3-4-5-6-10-13-14-11(9-12)15(10)7-8-16-2/h3-9,12H2,1-2H3
InChIKeyXCIMCTLZWVILDJ-UHFFFAOYSA-N
XLogP1.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-4-(2-methoxyethyl)-5-nonyl-1,2,4-triazole
CID 115398936
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593519
[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112594055
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
CID 126601317
[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 112592777
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
[4-(2-methoxyethyl)-5-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 115943942
[4-(2-methoxyethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 112592780
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
[4-(2-methoxyethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-triazol-3-yl]methanamine
CID 112592807
[5-(3-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593792

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine (CID 112592767) is [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine is CCCCCc1nnc(CN)n1CCOC.
What is the InChIKey of [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is XCIMCTLZWVILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-3-4-5-6-10-13-14-11(9-12)15(10)7-8-16-2/h3-9,12H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine?
[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112592767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).