(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone

C13H10BrClN6O — CID 68799764

IUPAC(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCn2c(Br)nnc2C1
InChIInChI=1S/C13H10BrClN6O/c14-13-17-16-11-7-19(3-4-20(11)13)12(22)10-5-9-2-1-8(15)6-21(9)18-10/h1-2,5-6H,3-4,7H2
InChIKeyPYMFSXHRFMBUJB-UHFFFAOYSA-N
MW381.62 g/mol
LogP2.00
Rot. Bonds1

About (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone

(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 68799764) has the molecular formula C13H10BrClN6O and a molecular weight of 381.62 g/mol. Its IUPAC name is (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID68799764
Molecular FormulaC13H10BrClN6O
Molecular Weight381.62 g/mol
Exact Mass379.98
IUPAC Name(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCn2c(Br)nnc2C1
InChIInChI=1S/C13H10BrClN6O/c14-13-17-16-11-7-19(3-4-20(11)13)12(22)10-5-9-2-1-8(15)6-21(9)18-10/h1-2,5-6H,3-4,7H2
InChIKeyPYMFSXHRFMBUJB-UHFFFAOYSA-N
XLogP2.00
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 68799764) is (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is O=C(c1cc2ccc(Cl)cn2n1)N1CCn2c(Br)nnc2C1.
What is the InChIKey of (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is PYMFSXHRFMBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN6O/c14-13-17-16-11-7-19(3-4-20(11)13)12(22)10-5-9-2-1-8(15)6-21(9)18-10/h1-2,5-6H,3-4,7H2.
What are the key properties of (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
(3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 381.62 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 68799764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).