(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol

C12H13N3O — CID 116517213

IUPAC(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ncn[nH]1)C1CC1c1ccccc1
InChIInChI=1S/C12H13N3O/c16-11(12-13-7-14-15-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-11,16H,6H2,(H,13,14,15)
InChIKeyCYHYENVSYUNCLE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.64
Rot. Bonds3

About (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol

(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 116517213) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID116517213
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ncn[nH]1)C1CC1c1ccccc1
InChIInChI=1S/C12H13N3O/c16-11(12-13-7-14-15-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-11,16H,6H2,(H,13,14,15)
InChIKeyCYHYENVSYUNCLE-UHFFFAOYSA-N
XLogP1.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl(1H-1,2,4-triazol-5-yl)methanol
CID 40540193
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
(2-methyl-3-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 105131922
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
(3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol
CID 116516866
(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol
CID 115838733
(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 116517288
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
(2-phenylcyclopropyl)-(3-propylphenyl)methanol
CID 115838097
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol (CID 116517213) is (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol is OC(c1ncn[nH]1)C1CC1c1ccccc1.
What is the InChIKey of (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is CYHYENVSYUNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-11(12-13-7-14-15-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-11,16H,6H2,(H,13,14,15).
What are the key properties of (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol?
(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 215.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 116517213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).