4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol

C11H19N3O2 — CID 114685011

IUPAC4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2cnnn2C)CCO1
InChIInChI=1S/C11H19N3O2/c1-3-4-9-7-11(15,5-6-16-9)10-8-12-13-14(10)2/h8-9,15H,3-7H2,1-2H3
InChIKeyGQDDSMUMYWXROV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds3

About 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol

4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol (PubChem CID 114685011) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol
PubChem CID114685011
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2cnnn2C)CCO1
InChIInChI=1S/C11H19N3O2/c1-3-4-9-7-11(15,5-6-16-9)10-8-12-13-14(10)2/h8-9,15H,3-7H2,1-2H3
InChIKeyGQDDSMUMYWXROV-UHFFFAOYSA-N
XLogP0.98
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
CID 114635824
2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
CID 64984799
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685052
4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol
CID 113421447
3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106874064
4-(cycloocten-1-yl)-2-propyloxan-4-ol
CID 106651119
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
4-(1H-indol-5-yl)-2-propyloxan-4-ol
CID 81445173
4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol
CID 82806552
2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641948
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685035

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol?
The IUPAC name of 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol (CID 114685011) is 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol is CCCC1CC(O)(c2cnnn2C)CCO1.
What is the InChIKey of 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol?
The InChIKey is GQDDSMUMYWXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-9-7-11(15,5-6-16-9)10-8-12-13-14(10)2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol?
4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol has a molecular weight of 225.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol is sourced from PubChem (CID 114685011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).