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

C16H22N8O — CID 122254349

IUPACN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C16H22N8O/c1-11-8-18-12(9-17-11)14(25)19-10-13-20-15(23(2)3)22-16(21-13)24-6-4-5-7-24/h8-9H,4-7,10H2,1-3H3,(H,19,25)
InChIKeyGQPIYKIIQUGSAH-UHFFFAOYSA-N
MW342.41 g/mol
LogP0.57
Rot. Bonds5

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

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 122254349) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID122254349
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C16H22N8O/c1-11-8-18-12(9-17-11)14(25)19-10-13-20-15(23(2)3)22-16(21-13)24-6-4-5-7-24/h8-9H,4-7,10H2,1-3H3,(H,19,25)
InChIKeyGQPIYKIIQUGSAH-UHFFFAOYSA-N
XLogP0.57
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyltriazole-4-carboxamide
CID 122254301
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122254271
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121138047
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 121137964
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137973
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 122254538
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122254185
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-3-carboxamide
CID 122254265
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide
CID 122254344

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 122254349) is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)cn1.
What is the InChIKey of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is GQPIYKIIQUGSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-11-8-18-12(9-17-11)14(25)19-10-13-20-15(23(2)3)22-16(21-13)24-6-4-5-7-24/h8-9H,4-7,10H2,1-3H3,(H,19,25).
What are the key properties of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 122254349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).