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

C10H12N4O — CID 70682271

IUPAC4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESO=C1NCN=C(NCc2ccccc2)N1
InChIInChI=1S/C10H12N4O/c15-10-13-7-12-9(14-10)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14,15)
InChIKeyROFNQSYHISDRLZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.40
Rot. Bonds2

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

4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one (PubChem CID 70682271) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one.

Molecular Properties

Compound Name4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
PubChem CID70682271
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESO=C1NCN=C(NCc2ccccc2)N1
InChIInChI=1S/C10H12N4O/c15-10-13-7-12-9(14-10)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14,15)
InChIKeyROFNQSYHISDRLZ-UHFFFAOYSA-N
XLogP0.40
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The IUPAC name of 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one (CID 70682271) is 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one.
What is the SMILES notation for 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The canonical SMILES for 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one is O=C1NCN=C(NCc2ccccc2)N1.
What is the InChIKey of 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The InChIKey is ROFNQSYHISDRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-10-13-7-12-9(14-10)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14,15).
What are the key properties of 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one has a molecular weight of 204.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one is sourced from PubChem (CID 70682271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).