7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C19H20N4O — CID 134791472

IUPAC7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C19H20N4O/c1-24-17-9-7-15(8-10-17)13-22-11-12-23-18(14-22)20-21-19(23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyIBAFDJYAYWSDQF-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.97
Rot. Bonds4

About 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134791472) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134791472
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C19H20N4O/c1-24-17-9-7-15(8-10-17)13-22-11-12-23-18(14-22)20-21-19(23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyIBAFDJYAYWSDQF-UHFFFAOYSA-N
XLogP2.97
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole
CID 24941247
4-benzyl-3-[(4-methoxybenzyl)thio]-5-phenyl-4H-1,2,4-triazole
CID 1327826
4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-
CID 647629
2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1272711
L 10503
CID 100434
methyl 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl ether
CID 2304109
(E)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512011
(E)-3-fluoro-2-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512070
(Z)-2-[[4-(1-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369087
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
1-Cyclopentyl-4-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602647

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134791472) is 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IBAFDJYAYWSDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-17-9-7-15(8-10-17)13-22-11-12-23-18(14-22)20-21-19(23)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 320.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134791472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).