molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one

C10H13N3O — CID 145188481

IUPACmolecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1cc2nc[nH]c(=O)c2cn1.[H][H]
InChIInChI=1S/C10H11N3O.H2/c1-6(2)8-3-9-7(4-11-8)10(14)13-5-12-9;/h3-6H,1-2H3,(H,12,13,14);1H
InChIKeyAWLWLALQNRFDOJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds1

About molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one

molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 145188481) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Namemolecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID145188481
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Namemolecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1cc2nc[nH]c(=O)c2cn1.[H][H]
InChIInChI=1S/C10H11N3O.H2/c1-6(2)8-3-9-7(4-11-8)10(14)13-5-12-9;/h3-6H,1-2H3,(H,12,13,14);1H
InChIKeyAWLWLALQNRFDOJ-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine
CID 171660115
7-fluoro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135456619
7-(1-nitrosoethyl)-3H-quinazolin-4-one
CID 137028703
7-propan-2-yl-1H-1,6-naphthyridin-4-one
CID 122697402
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
7-bromo-6-methylsulfanyl-3H-quinazolin-4-one
CID 135745151
6-propan-2-ylsulfanyl-3H-quinazolin-4-one
CID 136641879
6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135480525
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
3-[2-(3H-imidazo[4,5-c]pyridin-6-yl)propyl]-5-propan-2-yl-2H-pyrazolo[3,4-c]pyridine
CID 130251559
7-fluoro-6-(methylamino)-3H-quinazolin-4-one
CID 146792791
CID 157046909
CID 157046909

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one (CID 145188481) is molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one is CC(C)c1cc2nc[nH]c(=O)c2cn1.[H][H].
What is the InChIKey of molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AWLWLALQNRFDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.H2/c1-6(2)8-3-9-7(4-11-8)10(14)13-5-12-9;/h3-6H,1-2H3,(H,12,13,14);1H.
What are the key properties of molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one?
molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 145188481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).