2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol

C11H21N3O — CID 54165491

IUPAC2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol
SMILESCCCn1cc(CC(C)(O)CCC)nn1
InChIInChI=1S/C11H21N3O/c1-4-6-11(3,15)8-10-9-14(7-5-2)13-12-10/h9,15H,4-8H2,1-3H3
InChIKeyITTSQZJOTLFJNK-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.78
Rot. Bonds6

About 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol

2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol (PubChem CID 54165491) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol
PubChem CID54165491
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol
SMILESCCCn1cc(CC(C)(O)CCC)nn1
InChIInChI=1S/C11H21N3O/c1-4-6-11(3,15)8-10-9-14(7-5-2)13-12-10/h9,15H,4-8H2,1-3H3
InChIKeyITTSQZJOTLFJNK-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol?
The IUPAC name of 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol (CID 54165491) is 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol is CCCn1cc(CC(C)(O)CCC)nn1.
What is the InChIKey of 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol?
The InChIKey is ITTSQZJOTLFJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-11(3,15)8-10-9-14(7-5-2)13-12-10/h9,15H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol?
2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propyltriazol-4-yl)pentan-2-ol is sourced from PubChem (CID 54165491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).