(4-butyl-1,2,4-triazol-3-yl)methanol

C7H13N3O — CID 22938709

IUPAC(4-butyl-1,2,4-triazol-3-yl)methanol
SMILESCCCCn1cnnc1CO
InChIInChI=1S/C7H13N3O/c1-2-3-4-10-6-8-9-7(10)5-11/h6,11H,2-5H2,1H3
InChIKeyRCAHISHQWOCNFZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.57
Rot. Bonds4

About (4-butyl-1,2,4-triazol-3-yl)methanol

(4-butyl-1,2,4-triazol-3-yl)methanol (PubChem CID 22938709) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (4-butyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-butyl-1,2,4-triazol-3-yl)methanol
PubChem CID22938709
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(4-butyl-1,2,4-triazol-3-yl)methanol
SMILESCCCCn1cnnc1CO
InChIInChI=1S/C7H13N3O/c1-2-3-4-10-6-8-9-7(10)5-11/h6,11H,2-5H2,1H3
InChIKeyRCAHISHQWOCNFZ-UHFFFAOYSA-N
XLogP0.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
(4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 15707893
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methanol
CID 66489696
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 75360918
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889

Frequently Asked Questions

What is the IUPAC name of (4-butyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-butyl-1,2,4-triazol-3-yl)methanol (CID 22938709) is (4-butyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-butyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-butyl-1,2,4-triazol-3-yl)methanol is CCCCn1cnnc1CO.
What is the InChIKey of (4-butyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is RCAHISHQWOCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-4-10-6-8-9-7(10)5-11/h6,11H,2-5H2,1H3.
What are the key properties of (4-butyl-1,2,4-triazol-3-yl)methanol?
(4-butyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 22938709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).