[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol

C19H18ClN3O — CID 42634801

IUPAC[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol
SMILESOC(c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12)C1CC1
InChIInChI=1S/C19H18ClN3O/c20-14-7-5-13(6-8-14)19(9-10-19)18-22-21-17-15(2-1-11-23(17)18)16(24)12-3-4-12/h1-2,5-8,11-12,16,24H,3-4,9-10H2
InChIKeyBRLDZMBOIRWMNY-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.91
Rot. Bonds4

About [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol

[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol (PubChem CID 42634801) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol
PubChem CID42634801
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol
SMILESOC(c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12)C1CC1
InChIInChI=1S/C19H18ClN3O/c20-14-7-5-13(6-8-14)19(9-10-19)18-22-21-17-15(2-1-11-23(17)18)16(24)12-3-4-12/h1-2,5-8,11-12,16,24H,3-4,9-10H2
InChIKeyBRLDZMBOIRWMNY-UHFFFAOYSA-N
XLogP3.91
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol?
The IUPAC name of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol (CID 42634801) is [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol.
What is the SMILES notation for [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol?
The canonical SMILES for [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol is OC(c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12)C1CC1.
What is the InChIKey of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol?
The InChIKey is BRLDZMBOIRWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-14-7-5-13(6-8-14)19(9-10-19)18-22-21-17-15(2-1-11-23(17)18)16(24)12-3-4-12/h1-2,5-8,11-12,16,24H,3-4,9-10H2.
What are the key properties of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol?
[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol has a molecular weight of 339.83 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol is sourced from PubChem (CID 42634801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).