4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile

C14H14N6 — CID 94672708

IUPAC4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc3c(c(NN)n2)CCC3)cc1
InChIInChI=1S/C14H14N6/c15-8-9-4-6-10(7-5-9)17-14-18-12-3-1-2-11(12)13(19-14)20-16/h4-7H,1-3,16H2,(H2,17,18,19,20)
InChIKeyJRWSUVNPAHSWCB-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.87
Rot. Bonds3

About 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile

4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile (PubChem CID 94672708) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile
PubChem CID94672708
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc3c(c(NN)n2)CCC3)cc1
InChIInChI=1S/C14H14N6/c15-8-9-4-6-10(7-5-9)17-14-18-12-3-1-2-11(12)13(19-14)20-16/h4-7H,1-3,16H2,(H2,17,18,19,20)
InChIKeyJRWSUVNPAHSWCB-UHFFFAOYSA-N
XLogP1.87
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94672727
4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94672736
4-[[4-(4-amino-2,6-dimethylphenoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-yl]amino]benzonitrile
CID 156835004
3-(4-chloroanilino)-1-hydrazinyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 139267158
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660
4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile
CID 94672705
4-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80928587
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]benzonitrile
CID 4137430
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzonitrile
CID 72714702

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile (CID 94672708) is 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile is N#Cc1ccc(Nc2nc3c(c(NN)n2)CCC3)cc1.
What is the InChIKey of 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile?
The InChIKey is JRWSUVNPAHSWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-8-9-4-6-10(7-5-9)17-14-18-12-3-1-2-11(12)13(19-14)20-16/h4-7H,1-3,16H2,(H2,17,18,19,20).
What are the key properties of 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile?
4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile has a molecular weight of 266.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile is sourced from PubChem (CID 94672708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).