4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one

C8H10N4O2 — CID 70686507

IUPAC4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESO=C1NCN=C(NCc2ccco2)N1
InChIInChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)
InChIKeyBTIKIXQZBCJTQP-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.00
Rot. Bonds2

About 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one

4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one (PubChem CID 70686507) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
PubChem CID70686507
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESO=C1NCN=C(NCc2ccco2)N1
InChIInChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)
InChIKeyBTIKIXQZBCJTQP-UHFFFAOYSA-N
XLogP-0.00
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(((Furan-2-yl)methyl)amino)-1,2-dihydropyrimidin-2-one
CID 666825
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
[(Furan-2-yl)methyl]urea
CID 587724
1,3-(Difurfuryl)thiourea
CID 3034210
N-Methylfurfurylamine
CID 78492
2-Furan-2-yl-4,5-dihydro-1H-imidazole
CID 840808
1-(Furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 2269367
[(Furan-2-yl)methyl]thiourea
CID 717699
2-cyano-N-((furan-2-yl)methyl)acetamide
CID 304848
N-(furan-2-ylmethyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860102
N-allyl-6-chloro-N'-(2-furylmethyl)-1,3,5-triazine-2,4-diamine
CID 2053611
2-[[4-Chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 3141862

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The IUPAC name of 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one (CID 70686507) is 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The canonical SMILES for 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one is O=C1NCN=C(NCc2ccco2)N1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The InChIKey is BTIKIXQZBCJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13).
What are the key properties of 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one has a molecular weight of 194.19 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one is sourced from PubChem (CID 70686507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).