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

C19H20N4O2 — CID 134790764

IUPAC7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C19H20N4O2/c1-25-17-9-7-16(8-10-17)23-19(24)22-12-11-21(14-18(22)20-23)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyJNPMLWBSAKDHPP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.06
Rot. Bonds4

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

7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134790764) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134790764
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C19H20N4O2/c1-25-17-9-7-16(8-10-17)23-19(24)22-12-11-21(14-18(22)20-23)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyJNPMLWBSAKDHPP-UHFFFAOYSA-N
XLogP2.06
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
CID 4445082
8-Amino-6-(4-methoxy-3,5-dimethylphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155525494
5-methyl-4-(4-methylphenyl)-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3682675
4-(4-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3705004
2-(cyclopropylmethyl)-5-methyl-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 4302383
1-[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea
CID 5307861
N-(4-ethylphenyl)-N'-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}urea
CID 22430380
2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one
CID 4246597
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 3160405
4-[4-(benzyloxy)phenyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3485803
4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3682674
4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 10709852

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134790764) is 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(-n2nc3n(c2=O)CCN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JNPMLWBSAKDHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-17-9-7-16(8-10-17)23-19(24)22-12-11-21(14-18(22)20-23)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3.
What are the key properties of 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 336.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134790764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).