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

C5H9N3O — CID 23311302

IUPAC1-(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCC(O)Cc1ncn[nH]1
InChIInChI=1S/C5H9N3O/c1-4(9)2-5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)
InChIKeyKTAOQTYUCOXNFK-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.27
Rot. Bonds2

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

1-(1H-1,2,4-triazol-5-yl)propan-2-ol (PubChem CID 23311302) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)propan-2-ol
PubChem CID23311302
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCC(O)Cc1ncn[nH]1
InChIInChI=1S/C5H9N3O/c1-4(9)2-5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)
InChIKeyKTAOQTYUCOXNFK-UHFFFAOYSA-N
XLogP-0.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)propan-2-ol (CID 23311302) is 1-(1H-1,2,4-triazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)propan-2-ol is CC(O)Cc1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The InChIKey is KTAOQTYUCOXNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(9)2-5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
1-(1H-1,2,4-triazol-5-yl)propan-2-ol has a molecular weight of 127.15 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)propan-2-ol is sourced from PubChem (CID 23311302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).