7-ethyl-5-methoxy-1H-1,3-diazonine

C10H14N2O — CID 70639979

IUPAC7-ethyl-5-methoxy-1H-1,3-diazonine
SMILESCCc1cc[nH]cncc(OC)c1
InChIInChI=1S/C10H14N2O/c1-3-9-4-5-11-8-12-7-10(6-9)13-2/h4-8H,3H2,1-2H3,(H,11,12)/b5-4-,9-6-,10-7+
InChIKeyMDGQUKSJLCJOQN-NZPKQRPTSA-N
MW178.23 g/mol
LogP2.11
Rot. Bonds2

About 7-ethyl-5-methoxy-1H-1,3-diazonine

7-ethyl-5-methoxy-1H-1,3-diazonine (PubChem CID 70639979) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 7-ethyl-5-methoxy-1H-1,3-diazonine.

Molecular Properties

Compound Name7-ethyl-5-methoxy-1H-1,3-diazonine
PubChem CID70639979
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name7-ethyl-5-methoxy-1H-1,3-diazonine
SMILESCCc1cc[nH]cncc(OC)c1
InChIInChI=1S/C10H14N2O/c1-3-9-4-5-11-8-12-7-10(6-9)13-2/h4-8H,3H2,1-2H3,(H,11,12)/b5-4-,9-6-,10-7+
InChIKeyMDGQUKSJLCJOQN-NZPKQRPTSA-N
XLogP2.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-5-methoxy-1H-1,3-diazonine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
CID 69114857
1,4-diethylbenzene;1H-imidazole
CID 175237966
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
7-azabicyclo[4.1.0]hepta-1,3,5-triene;1-ethyl-3-methoxybenzene
CID 20539517
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
3-(3-ethylphenyl)-5-(3-methoxyphenyl)pyridine
CID 71141792
ethane;3-ethyl-5-fluoropyridine;3-ethyl-5-methoxypyridine;3-methoxypyridine;3-methylpyridine
CID 145008302
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
CID 70124527
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methoxy-1H-1,3-diazonine?
The IUPAC name of 7-ethyl-5-methoxy-1H-1,3-diazonine (CID 70639979) is 7-ethyl-5-methoxy-1H-1,3-diazonine.
What is the SMILES notation for 7-ethyl-5-methoxy-1H-1,3-diazonine?
The canonical SMILES for 7-ethyl-5-methoxy-1H-1,3-diazonine is CCc1cc[nH]cncc(OC)c1.
What is the InChIKey of 7-ethyl-5-methoxy-1H-1,3-diazonine?
The InChIKey is MDGQUKSJLCJOQN-NZPKQRPTSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-9-4-5-11-8-12-7-10(6-9)13-2/h4-8H,3H2,1-2H3,(H,11,12)/b5-4-,9-6-,10-7+.
What are the key properties of 7-ethyl-5-methoxy-1H-1,3-diazonine?
7-ethyl-5-methoxy-1H-1,3-diazonine has a molecular weight of 178.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methoxy-1H-1,3-diazonine is sourced from PubChem (CID 70639979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).