2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol

C19H25N3O2 — CID 131897270

IUPAC2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1nc(C2(c3ccccc3)CC2)nc1C1CCOC1
InChIInChI=1S/C19H25N3O2/c1-18(2,23)13-22-16(14-8-11-24-12-14)20-17(21-22)19(9-10-19)15-6-4-3-5-7-15/h3-7,14,23H,8-13H2,1-2H3
InChIKeyZJKFCFMGGOTSTF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds5

About 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol

2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 131897270) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID131897270
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1nc(C2(c3ccccc3)CC2)nc1C1CCOC1
InChIInChI=1S/C19H25N3O2/c1-18(2,23)13-22-16(14-8-11-24-12-14)20-17(21-22)19(9-10-19)15-6-4-3-5-7-15/h3-7,14,23H,8-13H2,1-2H3
InChIKeyZJKFCFMGGOTSTF-UHFFFAOYSA-N
XLogP2.63
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol (CID 131897270) is 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol is CC(C)(O)Cn1nc(C2(c3ccccc3)CC2)nc1C1CCOC1.
What is the InChIKey of 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is ZJKFCFMGGOTSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-18(2,23)13-22-16(14-8-11-24-12-14)20-17(21-22)19(9-10-19)15-6-4-3-5-7-15/h3-7,14,23H,8-13H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol?
2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 327.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(oxolan-3-yl)-3-(1-phenylcyclopropyl)-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 131897270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).