(1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

C17H15N5O2 — CID 51643232

IUPAC(1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESCOc1ccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1
InChIInChI=1S/C17H15N5O2/c1-24-11-8-6-10(7-9-11)14-19-16(18)21-17-20-15(23)12-4-2-3-5-13(12)22(14)17/h2-9,14H,1H3,(H3,18,19,20,21,23)/t14-/m1/s1
InChIKeyHZAKKTBWHCKZSU-CQSZACIVSA-N
MW321.34 g/mol
LogP1.69
Rot. Bonds2

About (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one

(1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (PubChem CID 51643232) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name(1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
PubChem CID51643232
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name(1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
SMILESCOc1ccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1
InChIInChI=1S/C17H15N5O2/c1-24-11-8-6-10(7-9-11)14-19-16(18)21-17-20-15(23)12-4-2-3-5-13(12)22(14)17/h2-9,14H,1H3,(H3,18,19,20,21,23)/t14-/m1/s1
InChIKeyHZAKKTBWHCKZSU-CQSZACIVSA-N
XLogP1.69
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The IUPAC name of (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (CID 51643232) is (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The canonical SMILES for (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is COc1ccc([C@@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1.
What is the InChIKey of (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
The InChIKey is HZAKKTBWHCKZSU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-11-8-6-10(7-9-11)14-19-16(18)21-17-20-15(23)12-4-2-3-5-13(12)22(14)17/h2-9,14H,1H3,(H3,18,19,20,21,23)/t14-/m1/s1.
What are the key properties of (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one?
(1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one has a molecular weight of 321.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 51643232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).