1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

C13H22N6O3 — CID 110111173

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(c2nc(OC)nc(OC)n2)C1
InChIInChI=1S/C13H22N6O3/c1-14-10(20)9-7-18(2)5-6-19(8-9)11-15-12(21-3)17-13(16-11)22-4/h9H,5-8H2,1-4H3,(H,14,20)
InChIKeyLFNRXXKKWRRULA-UHFFFAOYSA-N
MW310.36 g/mol
LogP-1.00
Rot. Bonds4

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide (PubChem CID 110111173) has the molecular formula C13H22N6O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
PubChem CID110111173
Molecular FormulaC13H22N6O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(c2nc(OC)nc(OC)n2)C1
InChIInChI=1S/C13H22N6O3/c1-14-10(20)9-7-18(2)5-6-19(8-9)11-15-12(21-3)17-13(16-11)22-4/h9H,5-8H2,1-4H3,(H,14,20)
InChIKeyLFNRXXKKWRRULA-UHFFFAOYSA-N
XLogP-1.00
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide (CID 110111173) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide is CNC(=O)C1CN(C)CCN(c2nc(OC)nc(OC)n2)C1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The InChIKey is LFNRXXKKWRRULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3/c1-14-10(20)9-7-18(2)5-6-19(8-9)11-15-12(21-3)17-13(16-11)22-4/h9H,5-8H2,1-4H3,(H,14,20).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide has a molecular weight of 310.36 g/mol, XLogP of -1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,4-dimethyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110111173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).