(6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one

C15H18N4O — CID 95317575

IUPAC(6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCc1nn2c(nc1=O)-c1ccccc1N[C@@H]2CC(C)C
InChIInChI=1S/C15H18N4O/c1-9(2)8-13-16-12-7-5-4-6-11(12)14-17-15(20)10(3)18-19(13)14/h4-7,9,13,16H,8H2,1-3H3/t13-/m0/s1
InChIKeyUWTBIIQTOVIXBX-ZDUSSCGKSA-N
MW270.34 g/mol
LogP2.58
Rot. Bonds2

About (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one

(6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (PubChem CID 95317575) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one.

Molecular Properties

Compound Name(6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
PubChem CID95317575
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCc1nn2c(nc1=O)-c1ccccc1N[C@@H]2CC(C)C
InChIInChI=1S/C15H18N4O/c1-9(2)8-13-16-12-7-5-4-6-11(12)14-17-15(20)10(3)18-19(13)14/h4-7,9,13,16H,8H2,1-3H3/t13-/m0/s1
InChIKeyUWTBIIQTOVIXBX-ZDUSSCGKSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The IUPAC name of (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one (CID 95317575) is (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one.
What is the SMILES notation for (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The canonical SMILES for (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one is Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2CC(C)C.
What is the InChIKey of (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The InChIKey is UWTBIIQTOVIXBX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9(2)8-13-16-12-7-5-4-6-11(12)14-17-15(20)10(3)18-19(13)14/h4-7,9,13,16H,8H2,1-3H3/t13-/m0/s1.
What are the key properties of (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one?
(6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one has a molecular weight of 270.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-6-(2-methylpropyl)-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-2-one is sourced from PubChem (CID 95317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).