7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C17H23N7O — CID 136559635

IUPAC7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1nc2c(c(N(C)Cc3nnc4n3CCN(C)C4=O)n1)CCCC2
InChIInChI=1S/C17H23N7O/c1-11-18-13-7-5-4-6-12(13)15(19-11)23(3)10-14-20-21-16-17(25)22(2)8-9-24(14)16/h4-10H2,1-3H3
InChIKeyQOSNUVKZCRJYGR-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.98
Rot. Bonds3

About 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 136559635) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID136559635
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCc1nc2c(c(N(C)Cc3nnc4n3CCN(C)C4=O)n1)CCCC2
InChIInChI=1S/C17H23N7O/c1-11-18-13-7-5-4-6-12(13)15(19-11)23(3)10-14-20-21-16-17(25)22(2)8-9-24(14)16/h4-10H2,1-3H3
InChIKeyQOSNUVKZCRJYGR-UHFFFAOYSA-N
XLogP0.98
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 136559635) is 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is Cc1nc2c(c(N(C)Cc3nnc4n3CCN(C)C4=O)n1)CCCC2.
What is the InChIKey of 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is QOSNUVKZCRJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11-18-13-7-5-4-6-12(13)15(19-11)23(3)10-14-20-21-16-17(25)22(2)8-9-24(14)16/h4-10H2,1-3H3.
What are the key properties of 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 341.42 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 136559635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).