1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol

C11H19N3O — CID 176773912

IUPAC1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
SMILESCC(C)c1nc(C2(O)CC2)nn1C(C)C
InChIInChI=1S/C11H19N3O/c1-7(2)9-12-10(11(15)5-6-11)13-14(9)8(3)4/h7-8,15H,5-6H2,1-4H3
InChIKeyDAYIQBVUOGSAQO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds3

About 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol

1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol (PubChem CID 176773912) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
PubChem CID176773912
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol
SMILESCC(C)c1nc(C2(O)CC2)nn1C(C)C
InChIInChI=1S/C11H19N3O/c1-7(2)9-12-10(11(15)5-6-11)13-14(9)8(3)4/h7-8,15H,5-6H2,1-4H3
InChIKeyDAYIQBVUOGSAQO-UHFFFAOYSA-N
XLogP1.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 58204408
(1-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 58204412
3-(Methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole
CID 58204416
3-Cyclopropyl-1,5-di(propan-2-yl)-1,2,4-triazole
CID 58204445
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58337074
2-(1-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58973033
2-Methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 65609928
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
2-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 89333367
1-(5-Methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol
CID 139365987
2-(4-Cyclopropyl-1,2,4-triazol-3-yl)propan-2-ol
CID 141515429

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol (CID 176773912) is 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol is CC(C)c1nc(C2(O)CC2)nn1C(C)C.
What is the InChIKey of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
The InChIKey is DAYIQBVUOGSAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)9-12-10(11(15)5-6-11)13-14(9)8(3)4/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol?
1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-di(propan-2-yl)-1,2,4-triazol-3-yl]cyclopropan-1-ol is sourced from PubChem (CID 176773912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).