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

C9H8N6O — CID 19995962

IUPAC2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)Nc1nn[nH]n1)c1cccnc1
InChIInChI=1S/C9H8N6O/c1-6(7-3-2-4-10-5-7)8(16)11-9-12-14-15-13-9/h2-5H,1H2,(H2,11,12,13,14,15,16)
InChIKeyKDOSVHNBTGWTAA-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.25
Rot. Bonds3

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

2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide (PubChem CID 19995962) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
PubChem CID19995962
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESC=C(C(=O)Nc1nn[nH]n1)c1cccnc1
InChIInChI=1S/C9H8N6O/c1-6(7-3-2-4-10-5-7)8(16)11-9-12-14-15-13-9/h2-5H,1H2,(H2,11,12,13,14,15,16)
InChIKeyKDOSVHNBTGWTAA-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

2-(5-bromothiophen-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 67922310
2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide
CID 88603721
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
methanesulfonic acid;2-pyridin-3-ylprop-2-enamide
CID 174863919
3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 54502758
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide
CID 70156613
N-methylpyridine-3-carboxamide chloride
CID 20976730
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
CID 175154223
CID 175154223

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
The IUPAC name of 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide (CID 19995962) is 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
The canonical SMILES for 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide is C=C(C(=O)Nc1nn[nH]n1)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
The InChIKey is KDOSVHNBTGWTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-6(7-3-2-4-10-5-7)8(16)11-9-12-14-15-13-9/h2-5H,1H2,(H2,11,12,13,14,15,16).
What are the key properties of 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide?
2-pyridin-3-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 2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 19995962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).