5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride

C7H11Cl2N3O — CID 136966285

IUPAC5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]cnc2c1CCNC2
InChIInChI=1S/C7H9N3O.2ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;;/h4,8H,1-3H2,(H,9,10,11);2*1H
InChIKeyNXXJKAXMBKMOJW-UHFFFAOYSA-N
MW224.09 g/mol
LogP0.26
Rot. Bonds

About 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride

5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride (PubChem CID 136966285) has the molecular formula C7H11Cl2N3O and a molecular weight of 224.09 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
PubChem CID136966285
Molecular FormulaC7H11Cl2N3O
Molecular Weight224.09 g/mol
Exact Mass223.03
IUPAC Name5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]cnc2c1CCNC2
InChIInChI=1S/C7H9N3O.2ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;;/h4,8H,1-3H2,(H,9,10,11);2*1H
InChIKeyNXXJKAXMBKMOJW-UHFFFAOYSA-N
XLogP0.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride (CID 136966285) is 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride is Cl.Cl.O=c1[nH]cnc2c1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
The InChIKey is NXXJKAXMBKMOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.2ClH/c11-7-5-1-2-8-3-6(5)9-4-10-7;;/h4,8H,1-3H2,(H,9,10,11);2*1H.
What are the key properties of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride?
5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride has a molecular weight of 224.09 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 136966285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).