N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide

C13H18N8O — CID 122253972

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cnccn2)nc(N(C)C)n1
InChIInChI=1S/C13H18N8O/c1-20(2)12-17-10(18-13(19-12)21(3)4)8-16-11(22)9-7-14-5-6-15-9/h5-7H,8H2,1-4H3,(H,16,22)
InChIKeyKQUCSALUBZDIBD-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.28
Rot. Bonds5

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 122253972) has the molecular formula C13H18N8O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID122253972
Molecular FormulaC13H18N8O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cnccn2)nc(N(C)C)n1
InChIInChI=1S/C13H18N8O/c1-20(2)12-17-10(18-13(19-12)21(3)4)8-16-11(22)9-7-14-5-6-15-9/h5-7H,8H2,1-4H3,(H,16,22)
InChIKeyKQUCSALUBZDIBD-UHFFFAOYSA-N
XLogP-0.28
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 43040329
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 122254349
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794826
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121137865
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide (CID 122253972) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide is CN(C)c1nc(CNC(=O)c2cnccn2)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is KQUCSALUBZDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O/c1-20(2)12-17-10(18-13(19-12)21(3)4)8-16-11(22)9-7-14-5-6-15-9/h5-7H,8H2,1-4H3,(H,16,22).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 302.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122253972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).