2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride

C7H7ClN4O — CID 141181550

IUPAC2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride
SMILESCl.N#Cc1c[nH]c2c1NC(=O)NC2
InChIInChI=1S/C7H6N4O.ClH/c8-1-4-2-9-5-3-10-7(12)11-6(4)5;/h2,9H,3H2,(H2,10,11,12);1H
InChIKeyOPXCFMGXOITTPN-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.94
Rot. Bonds

About 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride

2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride (PubChem CID 141181550) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride
PubChem CID141181550
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride
SMILESCl.N#Cc1c[nH]c2c1NC(=O)NC2
InChIInChI=1S/C7H6N4O.ClH/c8-1-4-2-9-5-3-10-7(12)11-6(4)5;/h2,9H,3H2,(H2,10,11,12);1H
InChIKeyOPXCFMGXOITTPN-UHFFFAOYSA-N
XLogP0.94
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
CID 131498324
imidazolidine-2,4-dione;trihydrate
CID 70617866
4-oxo-3,5-dihydro-2H-furo[3,2-c]pyridine-7-carbonitrile
CID 84651328
7,8-dihydro-1H-imidazo[4,5-e][1,3]diazepine-4,6-dione
CID 70342938
8-fluoro-5-hydroxy-3,4-dihydro-1H-quinazolin-2-one
CID 137382819
3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyrrolo[3,2-b]pyrrole-6-carbonitrile
CID 176569213
8-acetyl-3,4-dihydro-1H-quinazolin-2-one
CID 84771465
2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride
CID 91623813
5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 45480261
1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 91995475
7,7-dimethyl-4-oxo-1H-cyclohepta[b]pyridine-3-carbonitrile
CID 142249007
6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 131849320

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride?
The IUPAC name of 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride (CID 141181550) is 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride.
What is the SMILES notation for 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride?
The canonical SMILES for 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride is Cl.N#Cc1c[nH]c2c1NC(=O)NC2.
What is the InChIKey of 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride?
The InChIKey is OPXCFMGXOITTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.ClH/c8-1-4-2-9-5-3-10-7(12)11-6(4)5;/h2,9H,3H2,(H2,10,11,12);1H.
What are the key properties of 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride?
2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride has a molecular weight of 198.61 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3,4,5-tetrahydropyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride is sourced from PubChem (CID 141181550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).