2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

C18H27N7 — CID 70704352

IUPAC2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1nccnc1N1CCC(c2nnc(CN3CCCC3)n2C)CC1
InChIInChI=1S/C18H27N7/c1-14-17(20-8-7-19-14)25-11-5-15(6-12-25)18-22-21-16(23(18)2)13-24-9-3-4-10-24/h7-8,15H,3-6,9-13H2,1-2H3
InChIKeyMWWJUHHYSXKRNU-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (PubChem CID 70704352) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
PubChem CID70704352
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1nccnc1N1CCC(c2nnc(CN3CCCC3)n2C)CC1
InChIInChI=1S/C18H27N7/c1-14-17(20-8-7-19-14)25-11-5-15(6-12-25)18-22-21-16(23(18)2)13-24-9-3-4-10-24/h7-8,15H,3-6,9-13H2,1-2H3
InChIKeyMWWJUHHYSXKRNU-UHFFFAOYSA-N
XLogP1.89
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(piperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
CID 72705091
({4-cyclopropyl-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine
CID 70756516
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
2-(3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyrazine
CID 72935848
[cis-3-(5-{[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91763489
2-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrazine
CID 70737778
2-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-5-methylpyrazine
CID 72881549
N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine
CID 95869615
3-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 129610712
3-[[4-(3-Imidazol-1-ylpropyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 132305402
2-{2-[3-[(1-methylpiperidin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine
CID 72923092
N-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128967126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (CID 70704352) is 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is Cc1nccnc1N1CCC(c2nnc(CN3CCCC3)n2C)CC1.
What is the InChIKey of 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The InChIKey is MWWJUHHYSXKRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-14-17(20-8-7-19-14)25-11-5-15(6-12-25)18-22-21-16(23(18)2)13-24-9-3-4-10-24/h7-8,15H,3-6,9-13H2,1-2H3.
What are the key properties of 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine has a molecular weight of 341.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 70704352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).