N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine

C6H13N7O — CID 157188183

IUPACN,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine
SMILESCN(C)C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H7NO/c4-1-7-2(5)9-3(6)8-1;1-4(2)3-5/h(H6,4,5,6,7,8,9);3H,1-2H3
InChIKeyAPJJQIXJONEBHW-UHFFFAOYSA-N
MW199.22 g/mol
LogP-1.68
Rot. Bonds1

About N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine

N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine (PubChem CID 157188183) has the molecular formula C6H13N7O and a molecular weight of 199.22 g/mol. Its IUPAC name is N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound NameN,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine
PubChem CID157188183
Molecular FormulaC6H13N7O
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine
SMILESCN(C)C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H7NO/c4-1-7-2(5)9-3(6)8-1;1-4(2)3-5/h(H6,4,5,6,7,8,9);3H,1-2H3
InChIKeyAPJJQIXJONEBHW-UHFFFAOYSA-N
XLogP-1.68
TPSA137.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine (CID 157188183) is N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine is CN(C)C=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine?
The InChIKey is APJJQIXJONEBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H7NO/c4-1-7-2(5)9-3(6)8-1;1-4(2)3-5/h(H6,4,5,6,7,8,9);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine?
N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine has a molecular weight of 199.22 g/mol, XLogP of -1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157188183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).