1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C13H16ClN5O — CID 121254759

IUPAC1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC1(C(O)(Cc2ccnnc2Cl)Cn2cncn2)CC1
InChIInChI=1S/C13H16ClN5O/c1-12(3-4-12)13(20,7-19-9-15-8-17-19)6-10-2-5-16-18-11(10)14/h2,5,8-9,20H,3-4,6-7H2,1H3
InChIKeyBCMBXHORMOZTIB-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.50
Rot. Bonds5

About 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 121254759) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID121254759
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC1(C(O)(Cc2ccnnc2Cl)Cn2cncn2)CC1
InChIInChI=1S/C13H16ClN5O/c1-12(3-4-12)13(20,7-19-9-15-8-17-19)6-10-2-5-16-18-11(10)14/h2,5,8-9,20H,3-4,6-7H2,1H3
InChIKeyBCMBXHORMOZTIB-UHFFFAOYSA-N
XLogP1.50
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol with MolForge

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Related Compounds

1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19811975
2-(1-chlorocyclopropyl)-1-(2,2-dichloro-1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 71112964
3-chloro-4-(2,2-dimethylpropyl)pyridazine
CID 59574217
1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile
CID 19010587
4-(4-chlorophenyl)-2-(1-methylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 14403431
1-(4-chlorophenyl)-1-[1-(hydroxymethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 14994823
(2S)-2-(1-chlorocyclopropyl)-1-(1,2,4-triazol-1-yl)hept-4-yn-2-ol
CID 124927499
2-(1-chlorocyclopropyl)-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol
CID 15022048
1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 163284355
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1-(4-chlorophenyl)-1-(1-pyridin-2-ylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 76899928

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 121254759) is 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is CC1(C(O)(Cc2ccnnc2Cl)Cn2cncn2)CC1.
What is the InChIKey of 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is BCMBXHORMOZTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-12(3-4-12)13(20,7-19-9-15-8-17-19)6-10-2-5-16-18-11(10)14/h2,5,8-9,20H,3-4,6-7H2,1H3.
What are the key properties of 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 293.76 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 121254759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).