1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone

C14H18N8O2 — CID 90620957

IUPAC1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(N2CCOCC2)n1)N1CCc2ncncc2C1
InChIInChI=1S/C14H18N8O2/c23-13(21-2-1-12-11(8-21)7-15-10-16-12)9-22-18-14(17-19-22)20-3-5-24-6-4-20/h7,10H,1-6,8-9H2
InChIKeyQLSRYRRXKUGULJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP-1.12
Rot. Bonds3

About 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone (PubChem CID 90620957) has the molecular formula C14H18N8O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone
PubChem CID90620957
Molecular FormulaC14H18N8O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(N2CCOCC2)n1)N1CCc2ncncc2C1
InChIInChI=1S/C14H18N8O2/c23-13(21-2-1-12-11(8-21)7-15-10-16-12)9-22-18-14(17-19-22)20-3-5-24-6-4-20/h7,10H,1-6,8-9H2
InChIKeyQLSRYRRXKUGULJ-UHFFFAOYSA-N
XLogP-1.12
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone (CID 90620957) is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone is O=C(Cn1nnc(N2CCOCC2)n1)N1CCc2ncncc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone?
The InChIKey is QLSRYRRXKUGULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O2/c23-13(21-2-1-12-11(8-21)7-15-10-16-12)9-22-18-14(17-19-22)20-3-5-24-6-4-20/h7,10H,1-6,8-9H2.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone?
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone has a molecular weight of 330.35 g/mol, XLogP of -1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 90620957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).