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

C17H18N6O2 — CID 97016578

IUPACtrans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C17H18N6O2/c24-16(14-11-13(14)15-7-4-10-25-15)18-8-9-19-17-20-21-22-23(17)12-5-2-1-3-6-12/h1-7,10,13-14H,8-9,11H2,(H,18,24)(H,19,20,22)/t13-,14-/m0/s1
InChIKeyVIHCGBQUWYWKNO-KBPBESRZSA-N
MW338.37 g/mol
LogP1.59
Rot. Bonds7

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

trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 97016578) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
PubChem CID97016578
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Nametrans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C17H18N6O2/c24-16(14-11-13(14)15-7-4-10-25-15)18-8-9-19-17-20-21-22-23(17)12-5-2-1-3-6-12/h1-7,10,13-14H,8-9,11H2,(H,18,24)(H,19,20,22)/t13-,14-/m0/s1
InChIKeyVIHCGBQUWYWKNO-KBPBESRZSA-N
XLogP1.59
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide (CID 97016578) is trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide is O=C(NCCNc1nnnn1-c1ccccc1)[C@H]1C[C@@H]1c1ccco1.
What is the InChIKey of trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is VIHCGBQUWYWKNO-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(14-11-13(14)15-7-4-10-25-15)18-8-9-19-17-20-21-22-23(17)12-5-2-1-3-6-12/h1-7,10,13-14H,8-9,11H2,(H,18,24)(H,19,20,22)/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(furan-2-yl)-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97016578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).