2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide

C11H13N5O3 — CID 82359264

IUPAC2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide
SMILESNNC(=O)Cn1c(N)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C11H13N5O3/c12-11-14-6-3-8-9(19-2-1-18-8)4-7(6)16(11)5-10(17)15-13/h3-4H,1-2,5,13H2,(H2,12,14)(H,15,17)
InChIKeyLRSDLKHRSAMEJX-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.62
Rot. Bonds2

About 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide

2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide (PubChem CID 82359264) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide
PubChem CID82359264
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide
SMILESNNC(=O)Cn1c(N)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C11H13N5O3/c12-11-14-6-3-8-9(19-2-1-18-8)4-7(6)16(11)5-10(17)15-13/h3-4H,1-2,5,13H2,(H2,12,14)(H,15,17)
InChIKeyLRSDLKHRSAMEJX-UHFFFAOYSA-N
XLogP-0.62
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanoate
CID 82359273
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
CID 82150232
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)-N-methylacetamide
CID 82359251
2-(2-phenyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetic acid
CID 94748982
N-(furan-2-ylmethylideneamino)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 3318034
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 82359124
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
N-(3,4-dimethylphenyl)-2-(2-methyl-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525475
1-[3-(2-methylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]ethanamine
CID 82025029
1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145800
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060754

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide?
The IUPAC name of 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide (CID 82359264) is 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide?
The canonical SMILES for 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide is NNC(=O)Cn1c(N)nc2cc3c(cc21)OCCO3.
What is the InChIKey of 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide?
The InChIKey is LRSDLKHRSAMEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-11-14-6-3-8-9(19-2-1-18-8)4-7(6)16(11)5-10(17)15-13/h3-4H,1-2,5,13H2,(H2,12,14)(H,15,17).
What are the key properties of 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide?
2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide has a molecular weight of 263.26 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetohydrazide is sourced from PubChem (CID 82359264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).