2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole

C28H48N6O — CID 145065273

IUPAC2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole
SMILESC.C=NN(CC(=O)C1CCC2C3CCC4CC(C)CCC4(C)C3CCC12C)/N=C\C.c1cn[nH]n1
InChIInChI=1S/C25H41N3O.C2H3N3.CH4/c1-6-27-28(26-5)16-23(29)22-10-9-20-19-8-7-18-15-17(2)11-13-24(18,3)21(19)12-14-25(20,22)4;1-2-4-5-3-1;/h6,17-22H,5,7-16H2,1-4H3;1-2H,(H,3,4,5);1H4/b27-6-;;
InChIKeyRXJPOBYYKMLENS-AUJVRCJVSA-N
MW484.73 g/mol
LogP6.21
Rot. Bonds5

About 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole

2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole (PubChem CID 145065273) has the molecular formula C28H48N6O and a molecular weight of 484.73 g/mol. Its IUPAC name is 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole.

Molecular Properties

Compound Name2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole
PubChem CID145065273
Molecular FormulaC28H48N6O
Molecular Weight484.73 g/mol
Exact Mass484.39
IUPAC Name2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole
SMILESC.C=NN(CC(=O)C1CCC2C3CCC4CC(C)CCC4(C)C3CCC12C)/N=C\C.c1cn[nH]n1
InChIInChI=1S/C25H41N3O.C2H3N3.CH4/c1-6-27-28(26-5)16-23(29)22-10-9-20-19-8-7-18-15-17(2)11-13-24(18,3)21(19)12-14-25(20,22)4;1-2-4-5-3-1;/h6,17-22H,5,7-16H2,1-4H3;1-2H,(H,3,4,5);1H4/b27-6-;;
InChIKeyRXJPOBYYKMLENS-AUJVRCJVSA-N
XLogP6.21
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole 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

2-bromo-1-[(3S,5R,8R,10S,13S,17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 145065347
2-bromo-1-[(13S,17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 134180010
2-(N-methylanilino)-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
CID 145443157
(Z)-2-amino-3-[amino-[2-oxo-2-[(17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]amino]prop-2-enamide
CID 166762932
3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 78046402
2-(tetrazol-2-yl)-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
CID 145065088
ethane;1-[(13S,17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 145168950
N,N'-diamino-N-[2-[(3S,5R,8S,10R,13S,17S)-10-fluoro-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]ethanimidamide
CID 139403492
methane;2-pyrazolo[5,4-c]pyridin-1-yl-1-[(17S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 145443260
ethane;2-[[(E)-(6-fluoro-3H-pyridin-4-ylidene)methyl]-(methylideneamino)amino]-1-[10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 145142743
N'-[amino-[2-(13-ethyl-3,10-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl]amino]ethanimidamide;methane
CID 142612909
2-(N,2-diamino-3,4-difluoroanilino)-1-[(13S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 166762980

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole?
The IUPAC name of 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole (CID 145065273) is 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole.
What is the SMILES notation for 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole?
The canonical SMILES for 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole is C.C=NN(CC(=O)C1CCC2C3CCC4CC(C)CCC4(C)C3CCC12C)/N=C\C.c1cn[nH]n1.
What is the InChIKey of 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole?
The InChIKey is RXJPOBYYKMLENS-AUJVRCJVSA-N. The full InChI is InChI=1S/C25H41N3O.C2H3N3.CH4/c1-6-27-28(26-5)16-23(29)22-10-9-20-19-8-7-18-15-17(2)11-13-24(18,3)21(19)12-14-25(20,22)4;1-2-4-5-3-1;/h6,17-22H,5,7-16H2,1-4H3;1-2H,(H,3,4,5);1H4/b27-6-;;.
What are the key properties of 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole?
2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole has a molecular weight of 484.73 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-ethylideneamino]-(methylideneamino)amino]-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;methane;2H-triazole is sourced from PubChem (CID 145065273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).