7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile

C8H6N4 — CID 175061170

IUPAC7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1ncnc2c1C=CNC2
InChIInChI=1S/C8H6N4/c9-3-7-6-1-2-10-4-8(6)12-5-11-7/h1-2,5,10H,4H2
InChIKeyFXBUBIUXBAPNQS-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.42
Rot. Bonds

About 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile

7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile (PubChem CID 175061170) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile
PubChem CID175061170
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile
SMILESN#Cc1ncnc2c1C=CNC2
InChIInChI=1S/C8H6N4/c9-3-7-6-1-2-10-4-8(6)12-5-11-7/h1-2,5,10H,4H2
InChIKeyFXBUBIUXBAPNQS-UHFFFAOYSA-N
XLogP0.42
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 144855581
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CID 145418002
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CID 152370752
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CID 159027564
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CID 164755042
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CID 169968264
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CID 177347960
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CID 178509763
CID 178509763

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile?
The IUPAC name of 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile (CID 175061170) is 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile?
The canonical SMILES for 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile is N#Cc1ncnc2c1C=CNC2.
What is the InChIKey of 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile?
The InChIKey is FXBUBIUXBAPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c9-3-7-6-1-2-10-4-8(6)12-5-11-7/h1-2,5,10H,4H2.
What are the key properties of 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile?
7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydropyrido[3,4-d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 175061170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).