(5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol

C7H13N3O — CID 71757591

IUPAC(5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1c(C)nnc1CO
InChIInChI=1S/C7H13N3O/c1-3-4-10-6(2)8-9-7(10)5-11/h11H,3-5H2,1-2H3
InChIKeyYHEHJNDTUBEPMU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds3

About (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol

(5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol (PubChem CID 71757591) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol
PubChem CID71757591
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol
SMILESCCCn1c(C)nnc1CO
InChIInChI=1S/C7H13N3O/c1-3-4-10-6(2)8-9-7(10)5-11/h11H,3-5H2,1-2H3
InChIKeyYHEHJNDTUBEPMU-UHFFFAOYSA-N
XLogP0.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol (CID 71757591) is (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol is CCCn1c(C)nnc1CO.
What is the InChIKey of (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is YHEHJNDTUBEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-4-10-6(2)8-9-7(10)5-11/h11H,3-5H2,1-2H3.
What are the key properties of (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol?
(5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 71757591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).