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

C9H17N3O — CID 139365987

IUPAC1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1nc(C(C)C)nn1CC(C)O
InChIInChI=1S/C9H17N3O/c1-6(2)9-10-8(4)12(11-9)5-7(3)13/h6-7,13H,5H2,1-4H3
InChIKeyWVCHGKDXHACHGL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.09
Rot. Bonds3

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

1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 139365987) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol
PubChem CID139365987
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1nc(C(C)C)nn1CC(C)O
InChIInChI=1S/C9H17N3O/c1-6(2)9-10-8(4)12(11-9)5-7(3)13/h6-7,13H,5H2,1-4H3
InChIKeyWVCHGKDXHACHGL-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol (CID 139365987) is 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol is Cc1nc(C(C)C)nn1CC(C)O.
What is the InChIKey of 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is WVCHGKDXHACHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)9-10-8(4)12(11-9)5-7(3)13/h6-7,13H,5H2,1-4H3.
What are the key properties of 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol?
1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 139365987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).