4-(3-propyltriazol-4-yl)pentan-2-ol

C10H19N3O — CID 114690551

IUPAC4-(3-propyltriazol-4-yl)pentan-2-ol
SMILESCCCn1nncc1C(C)CC(C)O
InChIInChI=1S/C10H19N3O/c1-4-5-13-10(7-11-12-13)8(2)6-9(3)14/h7-9,14H,4-6H2,1-3H3
InChIKeyFVIMWRDLAFMIKO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.56
Rot. Bonds5

About 4-(3-propyltriazol-4-yl)pentan-2-ol

4-(3-propyltriazol-4-yl)pentan-2-ol (PubChem CID 114690551) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(3-propyltriazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name4-(3-propyltriazol-4-yl)pentan-2-ol
PubChem CID114690551
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-(3-propyltriazol-4-yl)pentan-2-ol
SMILESCCCn1nncc1C(C)CC(C)O
InChIInChI=1S/C10H19N3O/c1-4-5-13-10(7-11-12-13)8(2)6-9(3)14/h7-9,14H,4-6H2,1-3H3
InChIKeyFVIMWRDLAFMIKO-UHFFFAOYSA-N
XLogP1.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol
CID 114686781
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
2-methylsulfonyl-1-(3-propyltriazol-4-yl)propan-1-ol
CID 115834136
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
6-bicyclo[3.1.0]hexanyl-(3-propyltriazol-4-yl)methanol
CID 115834042
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of 4-(3-propyltriazol-4-yl)pentan-2-ol?
The IUPAC name of 4-(3-propyltriazol-4-yl)pentan-2-ol (CID 114690551) is 4-(3-propyltriazol-4-yl)pentan-2-ol.
What is the SMILES notation for 4-(3-propyltriazol-4-yl)pentan-2-ol?
The canonical SMILES for 4-(3-propyltriazol-4-yl)pentan-2-ol is CCCn1nncc1C(C)CC(C)O.
What is the InChIKey of 4-(3-propyltriazol-4-yl)pentan-2-ol?
The InChIKey is FVIMWRDLAFMIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-13-10(7-11-12-13)8(2)6-9(3)14/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 4-(3-propyltriazol-4-yl)pentan-2-ol?
4-(3-propyltriazol-4-yl)pentan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyltriazol-4-yl)pentan-2-ol is sourced from PubChem (CID 114690551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).