[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol

C9H17N3O — CID 58204408

IUPAC[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1nc(CO)nn1C(C)C
InChIInChI=1S/C9H17N3O/c1-6(2)9-10-8(5-13)11-12(9)7(3)4/h6-7,13H,5H2,1-4H3
InChIKeyXACJPTUZKZAQMK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.47
Rot. Bonds3

About [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol

[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 58204408) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID58204408
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)c1nc(CO)nn1C(C)C
InChIInChI=1S/C9H17N3O/c1-6(2)9-10-8(5-13)11-12(9)7(3)4/h6-7,13H,5H2,1-4H3
InChIKeyXACJPTUZKZAQMK-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72886104
2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol
CID 97444804
[5-Ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 126712835
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 129190894
4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
3-(3,5-Diethyl-1,2,4-triazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65701384

Frequently Asked Questions

What is the IUPAC name of [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 58204408) is [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol is CC(C)c1nc(CO)nn1C(C)C.
What is the InChIKey of [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is XACJPTUZKZAQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)9-10-8(5-13)11-12(9)7(3)4/h6-7,13H,5H2,1-4H3.
What are the key properties of [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol?
[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 183.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 58204408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).