(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide

C10H10N4O2 — CID 60982798

IUPAC(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ncn[nH]1
InChIInChI=1S/C10H10N4O2/c15-10(4-3-8-2-1-5-16-8)11-6-9-12-7-13-14-9/h1-5,7H,6H2,(H,11,15)(H,12,13,14)/b4-3+
InChIKeyNDTIGMXDBKUIJL-ONEGZZNKSA-N
MW218.22 g/mol
LogP0.73
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide (PubChem CID 60982798) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
PubChem CID60982798
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ncn[nH]1
InChIInChI=1S/C10H10N4O2/c15-10(4-3-8-2-1-5-16-8)11-6-9-12-7-13-14-9/h1-5,7H,6H2,(H,11,15)(H,12,13,14)/b4-3+
InChIKeyNDTIGMXDBKUIJL-ONEGZZNKSA-N
XLogP0.73
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 113246886
(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 97377795
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114694014
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262415
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide (CID 60982798) is (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCc1ncn[nH]1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
The InChIKey is NDTIGMXDBKUIJL-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(4-3-8-2-1-5-16-8)11-6-9-12-7-13-14-9/h1-5,7H,6H2,(H,11,15)(H,12,13,14)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide has a molecular weight of 218.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide is sourced from PubChem (CID 60982798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).