N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide

C13H18N4O2 — CID 90708726

IUPACN'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide
SMILESCNNC(=O)c1cc(=O)n2c(n1)C1CCC(CC1)C2
InChIInChI=1S/C13H18N4O2/c1-14-16-13(19)10-6-11(18)17-7-8-2-4-9(5-3-8)12(17)15-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19)
InChIKeyGMQVPPGDCJWAAX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.39
Rot. Bonds2

About N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide

N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide (PubChem CID 90708726) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide
PubChem CID90708726
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide
SMILESCNNC(=O)c1cc(=O)n2c(n1)C1CCC(CC1)C2
InChIInChI=1S/C13H18N4O2/c1-14-16-13(19)10-6-11(18)17-7-8-2-4-9(5-3-8)12(17)15-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19)
InChIKeyGMQVPPGDCJWAAX-UHFFFAOYSA-N
XLogP0.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide;hydrochloride
CID 68640942
6-Oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 123458120
N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide
CID 68640943

Frequently Asked Questions

What is the IUPAC name of N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide?
The IUPAC name of N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide (CID 90708726) is N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide.
What is the SMILES notation for N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide?
The canonical SMILES for N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide is CNNC(=O)c1cc(=O)n2c(n1)C1CCC(CC1)C2.
What is the InChIKey of N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide?
The InChIKey is GMQVPPGDCJWAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-16-13(19)10-6-11(18)17-7-8-2-4-9(5-3-8)12(17)15-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19).
What are the key properties of N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide?
N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide is sourced from PubChem (CID 90708726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).