trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide

C19H20N6O — CID 95568786

IUPACtrans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N6O/c26-18(17-13-16(17)14-7-3-1-4-8-14)20-11-12-21-19-22-23-24-25(19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,26)(H,21,22,24)/t16-,17+/m1/s1
InChIKeyIVKSEKOWDUZSMU-SJORKVTESA-N
MW348.41 g/mol
LogP1.99
Rot. Bonds7

About trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 95568786) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
PubChem CID95568786
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Nametrans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N6O/c26-18(17-13-16(17)14-7-3-1-4-8-14)20-11-12-21-19-22-23-24-25(19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,26)(H,21,22,24)/t16-,17+/m1/s1
InChIKeyIVKSEKOWDUZSMU-SJORKVTESA-N
XLogP1.99
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide 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

cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 95320777
1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide
CID 78896414
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
CID 78896471
9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide
CID 86887275
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
CID 133412546
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide (CID 95568786) is trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide is O=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is IVKSEKOWDUZSMU-SJORKVTESA-N. The full InChI is InChI=1S/C19H20N6O/c26-18(17-13-16(17)14-7-3-1-4-8-14)20-11-12-21-19-22-23-24-25(19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,26)(H,21,22,24)/t16-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95568786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).