(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol

C8H15N3O — CID 70043029

IUPAC(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
SMILESCCCC[C@@H](O)c1ncnn1C
InChIInChI=1S/C8H15N3O/c1-3-4-5-7(12)8-9-6-10-11(8)2/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyXNRWSSJLUROXNP-SSDOTTSWSA-N
MW169.23 g/mol
LogP1.04
Rot. Bonds4

About (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol

(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol (PubChem CID 70043029) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
PubChem CID70043029
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
SMILESCCCC[C@@H](O)c1ncnn1C
InChIInChI=1S/C8H15N3O/c1-3-4-5-7(12)8-9-6-10-11(8)2/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyXNRWSSJLUROXNP-SSDOTTSWSA-N
XLogP1.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The IUPAC name of (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol (CID 70043029) is (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol.
What is the SMILES notation for (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The canonical SMILES for (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol is CCCC[C@@H](O)c1ncnn1C.
What is the InChIKey of (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The InChIKey is XNRWSSJLUROXNP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-5-7(12)8-9-6-10-11(8)2/h6-7,12H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol is sourced from PubChem (CID 70043029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).