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

C18H22N6O — CID 53193660

IUPAC7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(-c2nnc3n2CCN(Cc2cnn(C)c2C)C3)cc1
InChIInChI=1S/C18H22N6O/c1-13-15(10-19-22(13)2)11-23-8-9-24-17(12-23)20-21-18(24)14-4-6-16(25-3)7-5-14/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyNSGNTGIVTCYNAA-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.01
Rot. Bonds4

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

7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53193660) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53193660
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(-c2nnc3n2CCN(Cc2cnn(C)c2C)C3)cc1
InChIInChI=1S/C18H22N6O/c1-13-15(10-19-22(13)2)11-23-8-9-24-17(12-23)20-21-18(24)14-4-6-16(25-3)7-5-14/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyNSGNTGIVTCYNAA-UHFFFAOYSA-N
XLogP2.01
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 53193660) is 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(-c2nnc3n2CCN(Cc2cnn(C)c2C)C3)cc1.
What is the InChIKey of 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NSGNTGIVTCYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-15(10-19-22(13)2)11-23-8-9-24-17(12-23)20-21-18(24)14-4-6-16(25-3)7-5-14/h4-7,10H,8-9,11-12H2,1-3H3.
What are the key properties of 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53193660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).