5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride

C7H10ClN3 — CID 22707087

IUPAC5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.c1ncc2c(n1)CNCC2
InChIInChI=1S/C7H9N3.ClH/c1-2-8-4-7-6(1)3-9-5-10-7;/h3,5,8H,1-2,4H2;1H
InChIKeyCMBXBQUGRAZNBP-UHFFFAOYSA-N
MW171.63 g/mol
LogP0.54
Rot. Bonds

About 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 22707087) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID22707087
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.c1ncc2c(n1)CNCC2
InChIInChI=1S/C7H9N3.ClH/c1-2-8-4-7-6(1)3-9-5-10-7;/h3,5,8H,1-2,4H2;1H
InChIKeyCMBXBQUGRAZNBP-UHFFFAOYSA-N
XLogP0.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 22707087) is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is Cl.c1ncc2c(n1)CNCC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is CMBXBQUGRAZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.ClH/c1-2-8-4-7-6(1)3-9-5-10-7;/h3,5,8H,1-2,4H2;1H.
What are the key properties of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 22707087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).