4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium

C16H17N6O2+ — CID 3519614

IUPAC4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium
SMILESCn1c(NN=C(c2ccccc2)C2CC2)c([N+]#N)c(=O)n(C)c1=O
InChIInChI=1S/C16H16N6O2/c1-21-14(13(18-17)15(23)22(2)16(21)24)20-19-12(11-8-9-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/p+1
InChIKeyALIFADAZEXSZNG-UHFFFAOYSA-O
MW325.35 g/mol
LogP1.79
Rot. Bonds4

About 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium

4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium (PubChem CID 3519614) has the molecular formula C16H17N6O2+ and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium.

Molecular Properties

Compound Name4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium
PubChem CID3519614
Molecular FormulaC16H17N6O2+
Molecular Weight325.35 g/mol
Exact Mass325.14
IUPAC Name4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium
SMILESCn1c(NN=C(c2ccccc2)C2CC2)c([N+]#N)c(=O)n(C)c1=O
InChIInChI=1S/C16H16N6O2/c1-21-14(13(18-17)15(23)22(2)16(21)24)20-19-12(11-8-9-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/p+1
InChIKeyALIFADAZEXSZNG-UHFFFAOYSA-O
XLogP1.79
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[cyclopropyl(phenyl)methylidene]hydrazine
CID 85247126
[(E)-[cyclobutyl(phenyl)methylidene]amino]urea
CID 5381908
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium
CID 102482142
5-diazonio-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 3941557
N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide
CID 171978184
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124978988
1,3-dimethyl-4-(methylamino)-2,6-dioxo-N-phenacylpyrimidine-5-carboxamide
CID 22307801
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 3970319
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816
6-chloro-4-[[4-[(Z)-N-cyclopropyloxy-C-phenylcarbonimidoyl]cyclohexyl]-methylamino]-1-methyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 166903758

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium?
The IUPAC name of 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium (CID 3519614) is 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium.
What is the SMILES notation for 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium?
The canonical SMILES for 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium is Cn1c(NN=C(c2ccccc2)C2CC2)c([N+]#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium?
The InChIKey is ALIFADAZEXSZNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N6O2/c1-21-14(13(18-17)15(23)22(2)16(21)24)20-19-12(11-8-9-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/p+1.
What are the key properties of 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium?
4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium has a molecular weight of 325.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(phenyl)methylidene]hydrazinyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-diazonium is sourced from PubChem (CID 3519614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).