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

C11H10ClN5O — CID 81233345

IUPAC(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1cnccc1Cl)N1CCn2cnnc2C1
InChIInChI=1S/C11H10ClN5O/c12-9-1-2-13-5-8(9)11(18)16-3-4-17-7-14-15-10(17)6-16/h1-2,5,7H,3-4,6H2
InChIKeyLHYPXSQDCDNWRB-UHFFFAOYSA-N
MW263.69 g/mol
LogP0.98
Rot. Bonds1

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

(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 81233345) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID81233345
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1cnccc1Cl)N1CCn2cnnc2C1
InChIInChI=1S/C11H10ClN5O/c12-9-1-2-13-5-8(9)11(18)16-3-4-17-7-14-15-10(17)6-16/h1-2,5,7H,3-4,6H2
InChIKeyLHYPXSQDCDNWRB-UHFFFAOYSA-N
XLogP0.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66482686
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-sulfanylphenyl)methanone
CID 107030887
(3-chloro-2-nitrophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 79831549
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 81225735
(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583723
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone
CID 63586995
(2-amino-5-hydroxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 107075438
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 113269753
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
(3-amino-4,5-dichlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64581334
(2-bromo-3-methylphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 103854269

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 81233345) is (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1cnccc1Cl)N1CCn2cnnc2C1.
What is the InChIKey of (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is LHYPXSQDCDNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-9-1-2-13-5-8(9)11(18)16-3-4-17-7-14-15-10(17)6-16/h1-2,5,7H,3-4,6H2.
What are the key properties of (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 263.69 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 81233345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).