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

C19H17ClN4O2 — CID 134789048

IUPAC[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-8-4-14(5-9-16)19(25)23-10-11-24-17(12-23)21-22-18(24)13-2-6-15(20)7-3-13/h2-9H,10-12H2,1H3
InChIKeyDXDYHQRYFKJGEF-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.26
Rot. Bonds3

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

[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone (PubChem CID 134789048) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone
PubChem CID134789048
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-8-4-14(5-9-16)19(25)23-10-11-24-17(12-23)21-22-18(24)13-2-6-15(20)7-3-13/h2-9H,10-12H2,1H3
InChIKeyDXDYHQRYFKJGEF-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

1-(3-{4-[3-(4-Chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-phenoxy}-propyl)-4-methyl-piperazine
CID 10295195
(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
(R)-(4-chloro-3-fluorophenyl)(8-methyl-3-(5-methylfuran-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 86274596
1-Benzoyl-3-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 15991341
(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
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 53193585
[4-(cyclopropylmethoxy)phenyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53609909
2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide
CID 56802307
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 [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone (CID 134789048) is [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCn3c(nnc3-c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone?
The InChIKey is DXDYHQRYFKJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-8-4-14(5-9-16)19(25)23-10-11-24-17(12-23)21-22-18(24)13-2-6-15(20)7-3-13/h2-9H,10-12H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone?
[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)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 [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134789048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).