6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide

C17H26N8O — CID 91764573

IUPAC6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)Cc1nnc(C2CC(Nc3cncc(C(=O)N(C)C)n3)C2)n1C
InChIInChI=1S/C17H26N8O/c1-23(2)10-15-21-22-16(25(15)5)11-6-12(7-11)19-14-9-18-8-13(20-14)17(26)24(3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyNIJBVHFFPPCOSL-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.73
Rot. Bonds6

About 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide

6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 91764573) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID91764573
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)Cc1nnc(C2CC(Nc3cncc(C(=O)N(C)C)n3)C2)n1C
InChIInChI=1S/C17H26N8O/c1-23(2)10-15-21-22-16(25(15)5)11-6-12(7-11)19-14-9-18-8-13(20-14)17(26)24(3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyNIJBVHFFPPCOSL-UHFFFAOYSA-N
XLogP0.73
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-Aminopyrazin-2-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53611364
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-pyrazinecarboxamide
CID 91922568
N-(3-Methylbutyl)-5H6H7H8H-imidazo[12-A]pyridine-2-carboxamide
CID 71838055
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706289
N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70724937
N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70752750
2-[(4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]pyrazine
CID 72837172
2-({3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)-5-methylpyrazine
CID 72855988

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide (CID 91764573) is 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide is CN(C)Cc1nnc(C2CC(Nc3cncc(C(=O)N(C)C)n3)C2)n1C.
What is the InChIKey of 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is NIJBVHFFPPCOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-23(2)10-15-21-22-16(25(15)5)11-6-12(7-11)19-14-9-18-8-13(20-14)17(26)24(3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 91764573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).