N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide

C11H12N6O2 — CID 11322916

IUPACN-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide
SMILESNc1nc(=O)c(NNC=O)nn1Cc1ccccc1
InChIInChI=1S/C11H12N6O2/c12-11-14-10(19)9(15-13-7-18)16-17(11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,15,16)(H2,12,14,19)
InChIKeyZMSDJJDGDCFDMK-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.66
Rot. Bonds5

About N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide

N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide (PubChem CID 11322916) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide.

Molecular Properties

Compound NameN-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide
PubChem CID11322916
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC NameN-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide
SMILESNc1nc(=O)c(NNC=O)nn1Cc1ccccc1
InChIInChI=1S/C11H12N6O2/c12-11-14-10(19)9(15-13-7-18)16-17(11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,15,16)(H2,12,14,19)
InChIKeyZMSDJJDGDCFDMK-UHFFFAOYSA-N
XLogP-0.66
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-5-nitro-1,2,4-triazol-3-amine
CID 563426
N-[1-(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)ethyl]-2-cyclohexylacetamide
CID 56607109
(Z)-4-[(5-amino-1-benzyl-1,2,4-triazol-3-yl)amino]pent-3-en-2-one
CID 91699873
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995
5-benzylsulfonyl-2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-amine
CID 45032911
N-(1-benzyl-5-methyltriazol-4-yl)formamide
CID 174920548
3-amino-4-benzyl-1,2,4-oxadiazol-5-one
CID 11819868
4-amino-2-benzyl-7-chlorophthalazin-1-one
CID 71763827
4-amino-2-benzyl-6-chloro-5-iodopyridazin-3-one
CID 170737097
4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine
CID 119026611
3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135439535
4,5-diamino-2-benzylpyridazin-3-one
CID 820673

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide?
The IUPAC name of N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide (CID 11322916) is N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide.
What is the SMILES notation for N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide?
The canonical SMILES for N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide is Nc1nc(=O)c(NNC=O)nn1Cc1ccccc1.
What is the InChIKey of N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide?
The InChIKey is ZMSDJJDGDCFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c12-11-14-10(19)9(15-13-7-18)16-17(11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,15,16)(H2,12,14,19).
What are the key properties of N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide?
N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide has a molecular weight of 260.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-benzyl-5-oxo-1,2,4-triazin-6-yl)amino]formamide is sourced from PubChem (CID 11322916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).