4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C7H5N5O — CID 143260927

IUPAC4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(NO)c12
InChIInChI=1S/C7H5N5O/c8-1-4-2-9-6-5(4)7(12-13)11-3-10-6/h2-3,13H,(H2,9,10,11,12)
InChIKeyRUFUFNMSDABZJK-UHFFFAOYSA-N
MW175.15 g/mol
LogP0.63
Rot. Bonds1

About 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 143260927) has the molecular formula C7H5N5O and a molecular weight of 175.15 g/mol. Its IUPAC name is 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID143260927
Molecular FormulaC7H5N5O
Molecular Weight175.15 g/mol
Exact Mass175.05
IUPAC Name4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(NO)c12
InChIInChI=1S/C7H5N5O/c8-1-4-2-9-6-5(4)7(12-13)11-3-10-6/h2-3,13H,(H2,9,10,11,12)
InChIKeyRUFUFNMSDABZJK-UHFFFAOYSA-N
XLogP0.63
TPSA97.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22484488
4-[(4-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123381435
4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123746167
4-(3,3-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211787
7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;hydrochloride
CID 174939516
4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123691548
5-ethynyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11217389
4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211836
4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211750
3-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 72706341
ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 145441189
4-[[(1S)-1-[8-cyclopropyl-1-(morpholine-4-carbonyl)isoquinolin-3-yl]ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 157175122

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 143260927) is 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2ncnc(NO)c12.
What is the InChIKey of 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is RUFUFNMSDABZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O/c8-1-4-2-9-6-5(4)7(12-13)11-3-10-6/h2-3,13H,(H2,9,10,11,12).
What are the key properties of 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 175.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 143260927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).