[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol

C10H19N3O2 — CID 107944033

IUPAC[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCOCc1nnc(CO)n1CCC
InChIInChI=1S/C10H19N3O2/c1-3-5-13-9(7-14)11-12-10(13)8-15-6-4-2/h14H,3-8H2,1-2H3
InChIKeyZCSFDTZVWAHRJT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.11
Rot. Bonds7

About [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 107944033) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID107944033
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCOCc1nnc(CO)n1CCC
InChIInChI=1S/C10H19N3O2/c1-3-5-13-9(7-14)11-12-10(13)8-15-6-4-2/h14H,3-8H2,1-2H3
InChIKeyZCSFDTZVWAHRJT-UHFFFAOYSA-N
XLogP1.11
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.11
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

[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 112605944
[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396881
[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397142
[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301704
3-(chloromethyl)-4-(2-methylpropyl)-5-(propoxymethyl)-1,2,4-triazole
CID 107944088
(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 115396823
[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301706
[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
4-(2-methoxyethyl)-5-(propoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944163
[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
CID 112605942
[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396870
[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396838

Frequently Asked Questions

What is the IUPAC name of [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 107944033) is [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCOCc1nnc(CO)n1CCC.
What is the InChIKey of [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is ZCSFDTZVWAHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-5-13-9(7-14)11-12-10(13)8-15-6-4-2/h14H,3-8H2,1-2H3.
What are the key properties of [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 107944033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).