2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol

C9H15N3O — CID 91237897

IUPAC2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(c1ncn(CCO)n1)C1CC1
InChIInChI=1S/C9H15N3O/c1-7(8-2-3-8)9-10-6-12(11-9)4-5-13/h6-8,13H,2-5H2,1H3
InChIKeyMRPGOHLJZHNFNP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.78
Rot. Bonds4

About 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol

2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 91237897) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID91237897
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(c1ncn(CCO)n1)C1CC1
InChIInChI=1S/C9H15N3O/c1-7(8-2-3-8)9-10-6-12(11-9)4-5-13/h6-8,13H,2-5H2,1H3
InChIKeyMRPGOHLJZHNFNP-UHFFFAOYSA-N
XLogP0.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol (CID 91237897) is 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol is CC(c1ncn(CCO)n1)C1CC1.
What is the InChIKey of 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is MRPGOHLJZHNFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(8-2-3-8)9-10-6-12(11-9)4-5-13/h6-8,13H,2-5H2,1H3.
What are the key properties of 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 91237897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).