6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine

C9H9N5O — CID 12693892

IUPAC6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(/C=C/c2ccco2)n1
InChIInChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)4-3-6-2-1-5-15-6/h1-5H,(H4,10,11,12,13,14)/b4-3+
InChIKeyOUBHVQTWSVEKJT-ONEGZZNKSA-N
MW203.21 g/mol
LogP0.80
Rot. Bonds2

About 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine

6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 12693892) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine
PubChem CID12693892
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(/C=C/c2ccco2)n1
InChIInChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)4-3-6-2-1-5-15-6/h1-5H,(H4,10,11,12,13,14)/b4-3+
InChIKeyOUBHVQTWSVEKJT-ONEGZZNKSA-N
XLogP0.80
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-[(E)-2-phenylethenyl]furan
CID 642118
3-[2-(furan-2-yl)ethenyl]pyridine
CID 54559781
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(Z)-2-chloroethenyl]furan
CID 11389398
2-(3-chloroprop-1-enyl)furan
CID 54215427
bis[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]-dimethylsilane
CID 177455592
2-[(Z)-2-naphthalen-1-ylethenyl]furan
CID 12649067
2-[(E)-2-(4-methoxyphenyl)ethenyl]furan
CID 11052638
2-(3,3,3-trichloroprop-1-enyl)furan
CID 56614654

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine (CID 12693892) is 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(/C=C/c2ccco2)n1.
What is the InChIKey of 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OUBHVQTWSVEKJT-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)4-3-6-2-1-5-15-6/h1-5H,(H4,10,11,12,13,14)/b4-3+.
What are the key properties of 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine?
6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 203.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(furan-2-yl)ethenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12693892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).