3-amino-4-hydrazinylchromen-2-one

C9H9N3O2 — CID 158299605

IUPAC3-amino-4-hydrazinylchromen-2-one
SMILESNNc1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C9H9N3O2/c10-7-8(12-11)5-3-1-2-4-6(5)14-9(7)13/h1-4,12H,10-11H2
InChIKeyGMIKYXQUMWFERJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.66
Rot. Bonds1

About 3-amino-4-hydrazinylchromen-2-one

3-amino-4-hydrazinylchromen-2-one (PubChem CID 158299605) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-amino-4-hydrazinylchromen-2-one.

Molecular Properties

Compound Name3-amino-4-hydrazinylchromen-2-one
PubChem CID158299605
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-amino-4-hydrazinylchromen-2-one
SMILESNNc1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C9H9N3O2/c10-7-8(12-11)5-3-1-2-4-6(5)14-9(7)13/h1-4,12H,10-11H2
InChIKeyGMIKYXQUMWFERJ-UHFFFAOYSA-N
XLogP0.66
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-4-[[(2R)-butan-2-yl]amino]chromen-2-one
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CID 4200246
3-amino-4-[3-(4-methylpiperazin-1-yl)propylamino]chromen-2-one
CID 2836885
4-amino-3-phenylchromen-2-one
CID 617040
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-anilino-3-phenylchromen-2-one
CID 2785512
3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one
CID 146341794
7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde
CID 11601481
4-amino-3-(piperidin-1-ylmethyl)chromen-2-one
CID 2754629
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
3-amino-2-(4-aminophenyl)chromen-4-one
CID 10562758

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydrazinylchromen-2-one?
The IUPAC name of 3-amino-4-hydrazinylchromen-2-one (CID 158299605) is 3-amino-4-hydrazinylchromen-2-one.
What is the SMILES notation for 3-amino-4-hydrazinylchromen-2-one?
The canonical SMILES for 3-amino-4-hydrazinylchromen-2-one is NNc1c(N)c(=O)oc2ccccc12.
What is the InChIKey of 3-amino-4-hydrazinylchromen-2-one?
The InChIKey is GMIKYXQUMWFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-7-8(12-11)5-3-1-2-4-6(5)14-9(7)13/h1-4,12H,10-11H2.
What are the key properties of 3-amino-4-hydrazinylchromen-2-one?
3-amino-4-hydrazinylchromen-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydrazinylchromen-2-one is sourced from PubChem (CID 158299605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).