ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine

C12H19N3 — CID 136624467

IUPACethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine
SMILESC/N=C1\NC(C)(C)c2cccnc21.CC
InChIInChI=1S/C10H13N3.C2H6/c1-10(2)7-5-4-6-12-8(7)9(11-3)13-10;1-2/h4-6H,1-3H3,(H,11,13);1-2H3
InChIKeyLLFHUJZFFXXDDZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.32
Rot. Bonds

About ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine

ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine (PubChem CID 136624467) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine.

Molecular Properties

Compound Nameethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine
PubChem CID136624467
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Nameethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine
SMILESC/N=C1\NC(C)(C)c2cccnc21.CC
InChIInChI=1S/C10H13N3.C2H6/c1-10(2)7-5-4-6-12-8(7)9(11-3)13-10;1-2/h4-6H,1-3H3,(H,11,13);1-2H3
InChIKeyLLFHUJZFFXXDDZ-UHFFFAOYSA-N
XLogP2.32
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine 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

5-amino-7-[3-(methylamino)propylimino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 142215212
5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one
CID 139074955
hexakis(6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione);bis(nickel(2+));tetrachloride;tetracosahydrate
CID 139204325
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 164705526
8,8-dimethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 146609415
cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine
CID 59027192
beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
CID 58049972
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59747241
8,8-bis(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58979966
5,5,6,6,7,7,8,8-octafluoroquinoline
CID 15579768

Frequently Asked Questions

What is the IUPAC name of ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine?
The IUPAC name of ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine (CID 136624467) is ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine.
What is the SMILES notation for ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine?
The canonical SMILES for ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine is C/N=C1\NC(C)(C)c2cccnc21.CC.
What is the InChIKey of ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine?
The InChIKey is LLFHUJZFFXXDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-10(2)7-5-4-6-12-8(7)9(11-3)13-10;1-2/h4-6H,1-3H3,(H,11,13);1-2H3.
What are the key properties of ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine?
ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine has a molecular weight of 205.30 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine is sourced from PubChem (CID 136624467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).