5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride

C8H12ClN3O — CID 170900386

IUPAC5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
SMILESCl.OCc1ncc2c(n1)CCNC2
InChIInChI=1S/C8H11N3O.ClH/c12-5-8-10-4-6-3-9-2-1-7(6)11-8;/h4,9,12H,1-3,5H2;1H
InChIKeyCNTTZRFNAVFQJF-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.04
Rot. Bonds1

About 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride

5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride (PubChem CID 170900386) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
PubChem CID170900386
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
SMILESCl.OCc1ncc2c(n1)CCNC2
InChIInChI=1S/C8H11N3O.ClH/c12-5-8-10-4-6-3-9-2-1-7(6)11-8;/h4,9,12H,1-3,5H2;1H
InChIKeyCNTTZRFNAVFQJF-UHFFFAOYSA-N
XLogP0.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride (CID 170900386) is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride is Cl.OCc1ncc2c(n1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride?
The InChIKey is CNTTZRFNAVFQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c12-5-8-10-4-6-3-9-2-1-7(6)11-8;/h4,9,12H,1-3,5H2;1H.
What are the key properties of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride?
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride is sourced from PubChem (CID 170900386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).