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

C8H8N4 — CID 131358997

IUPAC5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1ncnc2c1CCNC2
InChIInChI=1S/C8H8N4/c9-3-7-6-1-2-10-4-8(6)12-5-11-7/h5,10H,1-2,4H2
InChIKeyLJEAGGKSWCDDJX-UHFFFAOYSA-N
MW160.18 g/mol
LogP-0.01
Rot. Bonds

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

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile (PubChem CID 131358997) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile
PubChem CID131358997
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1ncnc2c1CCNC2
InChIInChI=1S/C8H8N4/c9-3-7-6-1-2-10-4-8(6)12-5-11-7/h5,10H,1-2,4H2
InChIKeyLJEAGGKSWCDDJX-UHFFFAOYSA-N
XLogP-0.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile?
The IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile (CID 131358997) is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile is N#Cc1ncnc2c1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile?
The InChIKey is LJEAGGKSWCDDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-3-7-6-1-2-10-4-8(6)12-5-11-7/h5,10H,1-2,4H2.
What are the key properties of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile?
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 131358997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).