3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol

C7H13N3O — CID 19930463

IUPAC3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol
SMILESCc1nnc(C)n1CCCO
InChIInChI=1S/C7H13N3O/c1-6-8-9-7(2)10(6)4-3-5-11/h11H,3-5H2,1-2H3
InChIKeyYYYVILWRTHNEJK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.28
Rot. Bonds3

About 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol

3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol (PubChem CID 19930463) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol
PubChem CID19930463
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol
SMILESCc1nnc(C)n1CCCO
InChIInChI=1S/C7H13N3O/c1-6-8-9-7(2)10(6)4-3-5-11/h11H,3-5H2,1-2H3
InChIKeyYYYVILWRTHNEJK-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
(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
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
3-[3,5-Bis(trifluoromethyl)-1,2,4-triazol-4-yl]propan-1-ol
CID 10706650
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109888
3-[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109931
[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396610
[4-Ethyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396618

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol (CID 19930463) is 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol is Cc1nnc(C)n1CCCO.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol?
The InChIKey is YYYVILWRTHNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-8-9-7(2)10(6)4-3-5-11/h11H,3-5H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol?
3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)propan-1-ol is sourced from PubChem (CID 19930463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).