ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine

C77H131N27O14 — CID 160633350

IUPACethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CCOC(=O)c1cc(N)cnn1.CCOC(=O)c1ccc(N)nn1.CCOC(=O)c1ccnc(N)n1.CCOC(=O)c1cnc(N)cn1.CCOC(=O)c1cnc(N)nc1.CCOC(=O)c1ncc(N)cn1.CCOC(=O)c1nccc(N)n1.Cc1cncc(N)n1.Cc1cnnc(N)c1
InChIInChI=1S/7C7H9N3O2.2C5H7N3.9C2H6/c1-2-12-7(11)5-3-10-6(8)4-9-5;1-2-12-7(11)6-9-3-5(8)4-10-6;1-2-12-6(11)5-3-9-7(8)10-4-5;1-2-12-7(11)6-3-5(8)4-9-10-6;1-2-12-7(11)6-9-4-3-5(8)10-6;1-2-12-6(11)5-3-4-9-7(8)10-5;1-2-12-7(11)5-3-4-6(8)10-9-5;1-4-2-7-3-5(6)8-4;1-4-2-5(6)8-7-3-4;9*1-2/h3-4H,2H2,1H3,(H2,8,10);3-4H,2,8H2,1H3;3-4H,2H2,1H3,(H2,8,9,10);3-4H,2H2,1H3,(H2,8,10);2*3-4H,2H2,1H3,(H2,8,9,10);3-4H,2H2,1H3,(H2,8,10);2*2-3H,1H3,(H2,6,8);9*1-2H3
InChIKeyRIFBZEYDBHOPCP-UHFFFAOYSA-N
MW1659.07 g/mol
LogP11.62
Rot. Bonds14

About ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine

ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine (PubChem CID 160633350) has the molecular formula C77H131N27O14 and a molecular weight of 1659.07 g/mol. Its IUPAC name is ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine.

Molecular Properties

Compound Nameethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine
PubChem CID160633350
Molecular FormulaC77H131N27O14
Molecular Weight1659.07 g/mol
Exact Mass1658.04
IUPAC Nameethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CCOC(=O)c1cc(N)cnn1.CCOC(=O)c1ccc(N)nn1.CCOC(=O)c1ccnc(N)n1.CCOC(=O)c1cnc(N)cn1.CCOC(=O)c1cnc(N)nc1.CCOC(=O)c1ncc(N)cn1.CCOC(=O)c1nccc(N)n1.Cc1cncc(N)n1.Cc1cnnc(N)c1
InChIInChI=1S/7C7H9N3O2.2C5H7N3.9C2H6/c1-2-12-7(11)5-3-10-6(8)4-9-5;1-2-12-7(11)6-9-3-5(8)4-10-6;1-2-12-6(11)5-3-9-7(8)10-4-5;1-2-12-7(11)6-3-5(8)4-9-10-6;1-2-12-7(11)6-9-4-3-5(8)10-6;1-2-12-6(11)5-3-4-9-7(8)10-5;1-2-12-7(11)5-3-4-6(8)10-9-5;1-4-2-7-3-5(6)8-4;1-4-2-5(6)8-7-3-4;9*1-2/h3-4H,2H2,1H3,(H2,8,10);3-4H,2,8H2,1H3;3-4H,2H2,1H3,(H2,8,9,10);3-4H,2H2,1H3,(H2,8,10);2*3-4H,2H2,1H3,(H2,8,9,10);3-4H,2H2,1H3,(H2,8,10);2*2-3H,1H3,(H2,6,8);9*1-2H3
InChIKeyRIFBZEYDBHOPCP-UHFFFAOYSA-N
XLogP11.62
TPSA650.30 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001659.07
LogP ≤ 511.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine 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

ethane;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate
CID 90860758
ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
ethyl 5-methylpyridazine-3-carboxylate
CID 150390069
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 4-tert-butylpyrimidine-2-carboxylate
CID 71290698
ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
CID 178112074
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
CID 114204873
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine?
The IUPAC name of ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine (CID 160633350) is ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine.
What is the SMILES notation for ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine?
The canonical SMILES for ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CCOC(=O)c1cc(N)cnn1.CCOC(=O)c1ccc(N)nn1.CCOC(=O)c1ccnc(N)n1.CCOC(=O)c1cnc(N)cn1.CCOC(=O)c1cnc(N)nc1.CCOC(=O)c1ncc(N)cn1.CCOC(=O)c1nccc(N)n1.Cc1cncc(N)n1.Cc1cnnc(N)c1.
What is the InChIKey of ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine?
The InChIKey is RIFBZEYDBHOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/7C7H9N3O2.2C5H7N3.9C2H6/c1-2-12-7(11)5-3-10-6(8)4-9-5;1-2-12-7(11)6-9-3-5(8)4-10-6;1-2-12-6(11)5-3-9-7(8)10-4-5;1-2-12-7(11)6-3-5(8)4-9-10-6;1-2-12-7(11)6-9-4-3-5(8)10-6;1-2-12-6(11)5-3-4-9-7(8)10-5;1-2-12-7(11)5-3-4-6(8)10-9-5;1-4-2-7-3-5(6)8-4;1-4-2-5(6)8-7-3-4;9*1-2/h3-4H,2H2,1H3,(H2,8,10);3-4H,2,8H2,1H3;3-4H,2H2,1H3,(H2,8,9,10);3-4H,2H2,1H3,(H2,8,10);2*3-4H,2H2,1H3,(H2,8,9,10);3-4H,2H2,1H3,(H2,8,10);2*2-3H,1H3,(H2,6,8);9*1-2H3.
What are the key properties of ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine?
ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine has a molecular weight of 1659.07 g/mol, XLogP of 11.62, 14 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-aminopyrazine-2-carboxylate;ethyl 5-aminopyridazine-3-carboxylate;ethyl 6-aminopyridazine-3-carboxylate;ethyl 2-aminopyrimidine-4-carboxylate;ethyl 2-aminopyrimidine-5-carboxylate;ethyl 4-aminopyrimidine-2-carboxylate;ethyl 5-aminopyrimidine-2-carboxylate;6-methylpyrazin-2-amine;5-methylpyridazin-3-amine is sourced from PubChem (CID 160633350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).