(E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide

C13H10N6O2 — CID 110208417

IUPAC(E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(-n2cncn2)ncn1
InChIInChI=1S/C13H10N6O2/c20-13(4-3-10-2-1-5-21-10)18-11-6-12(16-8-15-11)19-9-14-7-17-19/h1-9H,(H,15,16,18,20)/b4-3+
InChIKeyBUHRYTGDHJFJGZ-ONEGZZNKSA-N
MW282.26 g/mol
LogP1.30
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide (PubChem CID 110208417) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide
PubChem CID110208417
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc(-n2cncn2)ncn1
InChIInChI=1S/C13H10N6O2/c20-13(4-3-10-2-1-5-21-10)18-11-6-12(16-8-15-11)19-9-14-7-17-19/h1-9H,(H,15,16,18,20)/b4-3+
InChIKeyBUHRYTGDHJFJGZ-ONEGZZNKSA-N
XLogP1.30
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 7582821
2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide
CID 71805433
(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
CID 6026462
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 71805451
3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 824100
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
(E)-N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880817
N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880816
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(1S)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 97354800
(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 2298596

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide (CID 110208417) is (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cc(-n2cncn2)ncn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide?
The InChIKey is BUHRYTGDHJFJGZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H10N6O2/c20-13(4-3-10-2-1-5-21-10)18-11-6-12(16-8-15-11)19-9-14-7-17-19/h1-9H,(H,15,16,18,20)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide has a molecular weight of 282.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]prop-2-enamide is sourced from PubChem (CID 110208417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).