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

C19H17ClN4O2 — CID 134793026

IUPAC(2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)c2ccccc2Cl)C3)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-14-8-6-13(7-9-14)18-22-21-17-12-23(10-11-24(17)18)19(25)15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3
InChIKeyAIRLDNVOTGPEKJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.26
Rot. Bonds3

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

(2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 134793026) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID134793026
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name(2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)c2ccccc2Cl)C3)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-14-8-6-13(7-9-14)18-22-21-17-12-23(10-11-24(17)18)19(25)15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3
InChIKeyAIRLDNVOTGPEKJ-UHFFFAOYSA-N
XLogP3.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-fluorophenyl)-[3-(3-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599475
(2-chloro-4-fluorophenyl)-[3-(2-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599498
5-Benzyl-3-(4-methoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-one
CID 11383481
1-(2-chlorobenzoyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylamine
CID 753286
2-chloro-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
CID 2985607
1-Benzoyl-3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 15991341
1-(2-Chloro-5-fluorobenzoyl)-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
CID 91888771
(R)-(4-chlorophenyl)(8-methyl-3-(5-methylfuran-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 86274597
3-Methyl-7-[4-(trifluoromethoxy)benzoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazine
CID 53193545
(3-fluoro-4-methoxyphenyl)[3-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
CID 53193547
[4-(cyclopropylmethoxy)phenyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53609909
3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 71836695

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 134793026) is (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1ccc(-c2nnc3n2CCN(C(=O)c2ccccc2Cl)C3)cc1.
What is the InChIKey of (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is AIRLDNVOTGPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-14-8-6-13(7-9-14)18-22-21-17-12-23(10-11-24(17)18)19(25)15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3.
What are the key properties of (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 368.82 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 134793026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).