3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide

C9H8N6O — CID 54433090

IUPAC3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccncc1)Nc1nn[nH]n1
InChIInChI=1S/C9H8N6O/c16-8(11-9-12-14-15-13-9)2-1-7-3-5-10-6-4-7/h1-6H,(H2,11,12,13,14,15,16)
InChIKeyWIWLJPCQCUBVMM-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.25
Rot. Bonds3

About 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide

3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide (PubChem CID 54433090) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
PubChem CID54433090
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccncc1)Nc1nn[nH]n1
InChIInChI=1S/C9H8N6O/c16-8(11-9-12-14-15-13-9)2-1-7-3-5-10-6-4-7/h1-6H,(H2,11,12,13,14,15,16)
InChIKeyWIWLJPCQCUBVMM-UHFFFAOYSA-N
XLogP0.25
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 54502758
(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide
CID 70156613
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
CID 70007700
3-(2-chloro-6-fluorophenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 897930
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 75533554
(E)-3-pyridin-4-ylprop-2-enehydrazide
CID 5473676
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305410

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
The IUPAC name of 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide (CID 54433090) is 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide is O=C(C=Cc1ccncc1)Nc1nn[nH]n1.
What is the InChIKey of 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
The InChIKey is WIWLJPCQCUBVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c16-8(11-9-12-14-15-13-9)2-1-7-3-5-10-6-4-7/h1-6H,(H2,11,12,13,14,15,16).
What are the key properties of 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide has a molecular weight of 216.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 54433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).