3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol

C10H19N3O2 — CID 82211464

IUPAC3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESCCCCc1c(CO)nnn1CCCO
InChIInChI=1S/C10H19N3O2/c1-2-3-5-10-9(8-15)11-12-13(10)6-4-7-14/h14-15H,2-8H2,1H3
InChIKeyOBWWIHDKOZWCSG-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.50
Rot. Bonds7

About 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol

3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol (PubChem CID 82211464) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
PubChem CID82211464
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESCCCCc1c(CO)nnn1CCCO
InChIInChI=1S/C10H19N3O2/c1-2-3-5-10-9(8-15)11-12-13(10)6-4-7-14/h14-15H,2-8H2,1H3
InChIKeyOBWWIHDKOZWCSG-UHFFFAOYSA-N
XLogP0.50
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
CID 69384495
[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
CID 94944971
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
5-butyl-4-(2,2-dimethylpropyl)-1-hexyltriazole
CID 69383681
3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946321
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
CID 82203789
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
2-(1-butyl-5-methyltriazol-4-yl)ethanol
CID 82205579
3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
CID 82211554
[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720

Frequently Asked Questions

What is the IUPAC name of 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol (CID 82211464) is 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol is CCCCc1c(CO)nnn1CCCO.
What is the InChIKey of 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The InChIKey is OBWWIHDKOZWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-3-5-10-9(8-15)11-12-13(10)6-4-7-14/h14-15H,2-8H2,1H3.
What are the key properties of 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 82211464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).