(E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide

C11H12N6O2 — CID 130275377

IUPAC(E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide
SMILESCN(C)C(=O)/C=C/n1nnn(-c2cccnc2)c1=O
InChIInChI=1S/C11H12N6O2/c1-15(2)10(18)5-7-16-11(19)17(14-13-16)9-4-3-6-12-8-9/h3-8H,1-2H3/b7-5+
InChIKeyRLARGZDXBDSTFX-FNORWQNLSA-N
MW260.26 g/mol
LogP-0.62
Rot. Bonds3

About (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide

(E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide (PubChem CID 130275377) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide
PubChem CID130275377
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name(E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide
SMILESCN(C)C(=O)/C=C/n1nnn(-c2cccnc2)c1=O
InChIInChI=1S/C11H12N6O2/c1-15(2)10(18)5-7-16-11(19)17(14-13-16)9-4-3-6-12-8-9/h3-8H,1-2H3/b7-5+
InChIKeyRLARGZDXBDSTFX-FNORWQNLSA-N
XLogP-0.62
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]-4-pyridin-3-yltetrazol-5-one
CID 130275259
3-pyridin-3-yltriazole-4-carboxylic acid
CID 96625209
4-[(Z)-prop-1-enyl]-2-pyridin-3-yl-1,2,4-triazol-3-one
CID 130289235
6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione
CID 67159541
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
(3aR,6aS)-N,N-dimethyl-5-oxo-4-pyridin-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxamide
CID 125219710
1-(1-pyridin-3-yltetrazol-5-yl)ethanol
CID 173345359
N-methyl-4-(5-methyl-1-pyridin-3-yltriazol-4-yl)-N-propan-2-ylbenzamide
CID 45484905
2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
CID 6460651
4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
CID 130501966
N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
CID 170551154
5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67119556

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide (CID 130275377) is (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide is CN(C)C(=O)/C=C/n1nnn(-c2cccnc2)c1=O.
What is the InChIKey of (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide?
The InChIKey is RLARGZDXBDSTFX-FNORWQNLSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-15(2)10(18)5-7-16-11(19)17(14-13-16)9-4-3-6-12-8-9/h3-8H,1-2H3/b7-5+.
What are the key properties of (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide?
(E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide has a molecular weight of 260.26 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(5-oxo-4-pyridin-3-yltetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 130275377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).