[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium

C24H31N8O2+ — CID 170954750

IUPAC[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium
SMILESCC(C)=C(/[NH+]=C/C(C)=N\N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C24H30N8O2/c1-15(2)21(27-12-16(3)31-25)24(34)32-11-5-6-20(32)23(33)30-17(4)18-7-9-19(10-8-18)22-28-13-26-14-29-22/h7-10,12-14,17,20H,5-6,11,25H2,1-4H3,(H,30,33)/p+1/b27-12+,31-16-/t17-,20-/m0/s1
InChIKeySZMUKVBFRCQWKC-MATHKGFXSA-O
MW463.57 g/mol
LogP0.49
Rot. Bonds7

About [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium

[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium (PubChem CID 170954750) has the molecular formula C24H31N8O2+ and a molecular weight of 463.57 g/mol. Its IUPAC name is [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium.

Molecular Properties

Compound Name[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium
PubChem CID170954750
Molecular FormulaC24H31N8O2+
Molecular Weight463.57 g/mol
Exact Mass463.26
IUPAC Name[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium
SMILESCC(C)=C(/[NH+]=C/C(C)=N\N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C24H30N8O2/c1-15(2)21(27-12-16(3)31-25)24(34)32-11-5-6-20(32)23(33)30-17(4)18-7-9-19(10-8-18)22-28-13-26-14-29-22/h7-10,12-14,17,20H,5-6,11,25H2,1-4H3,(H,30,33)/p+1/b27-12+,31-16-/t17-,20-/m0/s1
InChIKeySZMUKVBFRCQWKC-MATHKGFXSA-O
XLogP0.49
TPSA140.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium 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-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170954618
(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 170954629
1-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 86922947
(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 51729148
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166996489
(2S)-1-[(2S)-2-(4-tert-butyltriazol-1-yl)-3-methylbutanoyl]-N-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 170955664
ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide
CID 170955608
N-[1-(4-bromophenyl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55606366
N-[1-[4-(2-chlorophenyl)phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylideneethylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955910
(2S)-1-[(Z,2R)-5-amino-3-oxo-2-propan-2-ylpent-4-enoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 139577005
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(2,6-difluorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535247
(2S)-1-(3,3-dimethylbutanoyl)-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535505

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium?
The IUPAC name of [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium (CID 170954750) is [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium.
What is the SMILES notation for [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium?
The canonical SMILES for [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium is CC(C)=C(/[NH+]=C/C(C)=N\N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2ncncn2)cc1.
What is the InChIKey of [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium?
The InChIKey is SZMUKVBFRCQWKC-MATHKGFXSA-O. The full InChI is InChI=1S/C24H30N8O2/c1-15(2)21(27-12-16(3)31-25)24(34)32-11-5-6-20(32)23(33)30-17(4)18-7-9-19(10-8-18)22-28-13-26-14-29-22/h7-10,12-14,17,20H,5-6,11,25H2,1-4H3,(H,30,33)/p+1/b27-12+,31-16-/t17-,20-/m0/s1.
What are the key properties of [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium?
[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium has a molecular weight of 463.57 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium is sourced from PubChem (CID 170954750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).