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

C19H17ClN4O2 — CID 134791354

IUPAC[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(nnc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-5-3-2-4-15(16)19(25)23-10-11-24-17(12-23)21-22-18(24)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3
InChIKeyADRUFMKNYRTCQZ-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]-(2-methoxyphenyl)methanone

[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone (PubChem CID 134791354) 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]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone
PubChem CID134791354
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]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(nnc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-5-3-2-4-15(16)19(25)23-10-11-24-17(12-23)21-22-18(24)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3
InChIKeyADRUFMKNYRTCQZ-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

3-(4-chlorophenyl)-1-(2-methoxybenzoyl)-1H-1,2,4-triazol-5-amine
CID 975143
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 1299465
(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
N-[(4-Chlorophenyl)methyl]-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 15991317
1-(4-Chloro-2-methoxybenzoyl)-4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}piperidine
CID 91906450
5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxybenzamide
CID 45824163
4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47451950
(5-chloro-2-methoxyphenyl)[5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
CID 53193599
[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53591026
(4-Chloro-2-methoxyphenyl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53604177
[2-(cyclopropylmethoxy)phenyl]-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53606507

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]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone (CID 134791354) is [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-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]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCn2c(nnc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone?
The InChIKey is ADRUFMKNYRTCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-5-3-2-4-15(16)19(25)23-10-11-24-17(12-23)21-22-18(24)13-6-8-14(20)9-7-13/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]-(2-methoxyphenyl)methanone?
[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-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]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 134791354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).