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

C10H10N4O — CID 135450654

IUPAC3-(benzylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(NCc2ccccc2)[nH]1
InChIInChI=1S/C10H10N4O/c15-9-7-12-14-10(13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13,14,15)
InChIKeySZYNMCCPUKNXST-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.78
Rot. Bonds3

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

3-(benzylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135450654) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(benzylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(benzylamino)-4H-1,2,4-triazin-5-one
PubChem CID135450654
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(benzylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(NCc2ccccc2)[nH]1
InChIInChI=1S/C10H10N4O/c15-9-7-12-14-10(13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13,14,15)
InChIKeySZYNMCCPUKNXST-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-1H-pyrimidin-2-one
CID 308512
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
N,N'-Benzylidenebisacetamide
CID 23346
Zinc00146377
CID 732243
6-(benzylamino)-5-methyl-1H-pyrimidin-2-one
CID 70688612
Urea, 1-acetyl-3-benzyl-
CID 571734
2-amino-6-(benzylamino)-1H-pyrimidin-4-one
CID 135408603
N-benzyl-2-[(5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio]acetamide
CID 135445462
6-methyl-3-[(2-phenylethyl)amino]-1,2,4-triazin-5(4H)-one
CID 135449193
2-Amino-6-(benzylamino)-5-iodo-4-pyrimidinol
CID 135420367
6-Benzylamino-1H-[1,3,5]triazine-2,4-dione
CID 13667945
N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)acetamide
CID 44371780

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(benzylamino)-4H-1,2,4-triazin-5-one (CID 135450654) is 3-(benzylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(benzylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(benzylamino)-4H-1,2,4-triazin-5-one is O=c1cnnc(NCc2ccccc2)[nH]1.
What is the InChIKey of 3-(benzylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is SZYNMCCPUKNXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-9-7-12-14-10(13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13,14,15).
What are the key properties of 3-(benzylamino)-4H-1,2,4-triazin-5-one?
3-(benzylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 202.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135450654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).