2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol

C19H21N3O — CID 122523071

IUPAC2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol
SMILESCc1ccc(C2(c3nnc4c(C([14CH3])([14CH3])O)cccn34)CC2)cc1
InChIInChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h4-9,12,23H,10-11H2,1-3H3/i2+2,3+2
InChIKeyVGHXQQNLOXUWOU-FTOQCNSHSA-N
MW311.38 g/mol
LogP3.35
Rot. Bonds3

About 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol

2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol (PubChem CID 122523071) has the molecular formula C19H21N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol
PubChem CID122523071
Molecular FormulaC19H21N3O
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol
SMILESCc1ccc(C2(c3nnc4c(C([14CH3])([14CH3])O)cccn34)CC2)cc1
InChIInChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h4-9,12,23H,10-11H2,1-3H3/i2+2,3+2
InChIKeyVGHXQQNLOXUWOU-FTOQCNSHSA-N
XLogP3.35
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol?
The IUPAC name of 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol (CID 122523071) is 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol.
What is the SMILES notation for 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol?
The canonical SMILES for 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol is Cc1ccc(C2(c3nnc4c(C([14CH3])([14CH3])O)cccn34)CC2)cc1.
What is the InChIKey of 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol?
The InChIKey is VGHXQQNLOXUWOU-FTOQCNSHSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h4-9,12,23H,10-11H2,1-3H3/i2+2,3+2.
What are the key properties of 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol?
2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol has a molecular weight of 311.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol is sourced from PubChem (CID 122523071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).