N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide

C6H8N4O3 — CID 12924257

IUPACN-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
SMILESCOc1nc(NC=O)nc(OC)n1
InChIInChI=1S/C6H8N4O3/c1-12-5-8-4(7-3-11)9-6(10-5)13-2/h3H,1-2H3,(H,7,8,9,10,11)
InChIKeyTTWCZHBSWZRXLA-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.54
Rot. Bonds4

About N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide (PubChem CID 12924257) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
PubChem CID12924257
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
SMILESCOc1nc(NC=O)nc(OC)n1
InChIInChI=1S/C6H8N4O3/c1-12-5-8-4(7-3-11)9-6(10-5)13-2/h3H,1-2H3,(H,7,8,9,10,11)
InChIKeyTTWCZHBSWZRXLA-UHFFFAOYSA-N
XLogP-0.54
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
N-(Methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 77943
N,N',N''-Tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 75492
DiMMM
CID 19596820
Hmmm TP325
CID 156601174
Hmmm TP243
CID 156601176
Hmmm TP353
CID 156601177
Hmmm TP287
CID 156601179
Hmmm TP315
CID 156601180
6-methoxy-N,N,N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 2189417
Melamine formamide
CID 23023290
Dimethoxy methylmelamine
CID 132278717

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide?
The IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide (CID 12924257) is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide.
What is the SMILES notation for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide?
The canonical SMILES for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide is COc1nc(NC=O)nc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide?
The InChIKey is TTWCZHBSWZRXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-12-5-8-4(7-3-11)9-6(10-5)13-2/h3H,1-2H3,(H,7,8,9,10,11).
What are the key properties of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide?
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide has a molecular weight of 184.16 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide is sourced from PubChem (CID 12924257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).