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

C8H14N6O3 — CID 156601176

IUPACN-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
SMILESCOCN(COC)c1nc(N)nc(NC=O)n1
InChIInChI=1S/C8H14N6O3/c1-16-4-14(5-17-2)8-12-6(9)11-7(13-8)10-3-15/h3H,4-5H2,1-2H3,(H3,9,10,11,12,13,15)
InChIKeyQJQMZQYWVWCKJV-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.96
Rot. Bonds7

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

N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide (PubChem CID 156601176) has the molecular formula C8H14N6O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide.

Molecular Properties

Compound NameN-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
PubChem CID156601176
Molecular FormulaC8H14N6O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC NameN-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
SMILESCOCN(COC)c1nc(N)nc(NC=O)n1
InChIInChI=1S/C8H14N6O3/c1-16-4-14(5-17-2)8-12-6(9)11-7(13-8)10-3-15/h3H,4-5H2,1-2H3,(H3,9,10,11,12,13,15)
InChIKeyQJQMZQYWVWCKJV-UHFFFAOYSA-N
XLogP-0.96
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
N,N',N''-Tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 75492
Pentakis(methoxymethyl)melamine
CID 18785363
DiMMM
CID 19596820
TriMMM
CID 20067384
Hmmm TP339
CID 156601173
Hmmm TP325
CID 156601174
Hmmm TP353
CID 156601177
Hmmm TP375
CID 156601178
Hmmm TP287
CID 156601179
Hmmm TP315
CID 156601180
6-methoxy-N,N,N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 2189417

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The IUPAC name of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide (CID 156601176) is N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide.
What is the SMILES notation for N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The canonical SMILES for N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide is COCN(COC)c1nc(N)nc(NC=O)n1.
What is the InChIKey of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The InChIKey is QJQMZQYWVWCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3/c1-16-4-14(5-17-2)8-12-6(9)11-7(13-8)10-3-15/h3H,4-5H2,1-2H3,(H3,9,10,11,12,13,15).
What are the key properties of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide has a molecular weight of 242.24 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide is sourced from PubChem (CID 156601176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).