2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol

C9H17N3O — CID 89333367

IUPAC2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
SMILESCC(C)Cn1cnc(C(C)(C)O)n1
InChIInChI=1S/C9H17N3O/c1-7(2)5-12-6-10-8(11-12)9(3,4)13/h6-7,13H,5H2,1-4H3
InChIKeyRONHVMGUMUPDJO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.16
Rot. Bonds3

About 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol

2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol (PubChem CID 89333367) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
PubChem CID89333367
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
SMILESCC(C)Cn1cnc(C(C)(C)O)n1
InChIInChI=1S/C9H17N3O/c1-7(2)5-12-6-10-8(11-12)9(3,4)13/h6-7,13H,5H2,1-4H3
InChIKeyRONHVMGUMUPDJO-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol (CID 89333367) is 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol is CC(C)Cn1cnc(C(C)(C)O)n1.
What is the InChIKey of 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
The InChIKey is RONHVMGUMUPDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)5-12-6-10-8(11-12)9(3,4)13/h6-7,13H,5H2,1-4H3.
What are the key properties of 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol?
2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol is sourced from PubChem (CID 89333367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).