N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide

C6H8N6O — CID 22235146

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H8N6O/c1-2-3(13)9-6-11-4(7)10-5(8)12-6/h2H,1H2,(H5,7,8,9,10,11,12,13)
InChIKeyDHQIYHHEPUYAAX-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.84
Rot. Bonds2

About N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide

N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide (PubChem CID 22235146) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide
PubChem CID22235146
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H8N6O/c1-2-3(13)9-6-11-4(7)10-5(8)12-6/h2H,1H2,(H5,7,8,9,10,11,12,13)
InChIKeyDHQIYHHEPUYAAX-UHFFFAOYSA-N
XLogP-0.84
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide 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

2,4,6-Trisacrylamido-1,3,5-triazine
CID 11500216
Melamine triacrylamide
CID 69606681
N-{[(4,6-Diamino-1,3,5-triazin-2-yl)amino]methyl}prop-2-enamide
CID 19098004
Prop-2-enamide;1,3,5-triazine-2,4,6-triamine
CID 21162911
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide
CID 21464697
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylprop-2-enamide
CID 22222770
N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]-bis(prop-2-enoylamino)methyl]prop-2-enamide
CID 57159827
N-(1,3,5-triazin-2-yl)prop-2-enamide
CID 69611748
N,N'-(6-Amino-1,3,5-triazine-2,4-diyl)di(prop-2-enamide)
CID 71353533
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-isocyanatoprop-2-enamide
CID 88336725
Buta-2,3-dienamide;1,3,5-triazine-2,4,6-triamine
CID 88795112
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide;hydrate
CID 139896213

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide (CID 22235146) is N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide is C=CC(=O)Nc1nc(N)nc(N)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide?
The InChIKey is DHQIYHHEPUYAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-2-3(13)9-6-11-4(7)10-5(8)12-6/h2H,1H2,(H5,7,8,9,10,11,12,13).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide?
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide has a molecular weight of 180.17 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide is sourced from PubChem (CID 22235146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).