2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

C10H19N3O — CID 15789960

IUPAC2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
SMILESCCC(O)(Cn1cncn1)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-5-10(14,9(2,3)4)6-13-8-11-7-12-13/h7-8,14H,5-6H2,1-4H3
InChIKeyAWXNMHWYMZEWLE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds3

About 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol (PubChem CID 15789960) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
PubChem CID15789960
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
SMILESCCC(O)(Cn1cncn1)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-5-10(14,9(2,3)4)6-13-8-11-7-12-13/h7-8,14H,5-6H2,1-4H3
InChIKeyAWXNMHWYMZEWLE-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
The IUPAC name of 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol (CID 15789960) is 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
The canonical SMILES for 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol is CCC(O)(Cn1cncn1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
The InChIKey is AWXNMHWYMZEWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-10(14,9(2,3)4)6-13-8-11-7-12-13/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol has a molecular weight of 197.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol is sourced from PubChem (CID 15789960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).