6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol

C12H11ClN6O — CID 123254240

IUPAC6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol
SMILESOc1[nH]cc2c(N3CCn4cnnc4C3)nc(Cl)cc12
InChIInChI=1S/C12H11ClN6O/c13-9-3-7-8(4-14-12(7)20)11(16-9)18-1-2-19-6-15-17-10(19)5-18/h3-4,6,14,20H,1-2,5H2
InChIKeyFYRZCOXNPYHKRJ-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.53
Rot. Bonds1

About 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol

6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol (PubChem CID 123254240) has the molecular formula C12H11ClN6O and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol.

Molecular Properties

Compound Name6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol
PubChem CID123254240
Molecular FormulaC12H11ClN6O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol
SMILESOc1[nH]cc2c(N3CCn4cnnc4C3)nc(Cl)cc12
InChIInChI=1S/C12H11ClN6O/c13-9-3-7-8(4-14-12(7)20)11(16-9)18-1-2-19-6-15-17-10(19)5-18/h3-4,6,14,20H,1-2,5H2
InChIKeyFYRZCOXNPYHKRJ-UHFFFAOYSA-N
XLogP1.53
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64575666
5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918902
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103328315
7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 80977508
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyrimidine-5-carbaldehyde
CID 66367757
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103328311
2-(chloromethyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 64579412
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 64575281
(1R)-1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
CID 64577245
1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
CID 64577247
4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzaldehyde
CID 114844378
[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine
CID 80508808

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol?
The IUPAC name of 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol (CID 123254240) is 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol.
What is the SMILES notation for 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol?
The canonical SMILES for 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol is Oc1[nH]cc2c(N3CCn4cnnc4C3)nc(Cl)cc12.
What is the InChIKey of 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol?
The InChIKey is FYRZCOXNPYHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O/c13-9-3-7-8(4-14-12(7)20)11(16-9)18-1-2-19-6-15-17-10(19)5-18/h3-4,6,14,20H,1-2,5H2.
What are the key properties of 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol?
6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol has a molecular weight of 290.71 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol is sourced from PubChem (CID 123254240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).