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

C19H29N7 — CID 70764102

IUPAC2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1nccnc1N1CCC(c2nnc(CN3CCCCC3)n2C)CC1
InChIInChI=1S/C19H29N7/c1-15-18(21-9-8-20-15)26-12-6-16(7-13-26)19-23-22-17(24(19)2)14-25-10-4-3-5-11-25/h8-9,16H,3-7,10-14H2,1-2H3
InChIKeyTVADNHSUZGVGAU-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.28
Rot. Bonds4

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

2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (PubChem CID 70764102) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
PubChem CID70764102
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1nccnc1N1CCC(c2nnc(CN3CCCCC3)n2C)CC1
InChIInChI=1S/C19H29N7/c1-15-18(21-9-8-20-15)26-12-6-16(7-13-26)19-23-22-17(24(19)2)14-25-10-4-3-5-11-25/h8-9,16H,3-7,10-14H2,1-2H3
InChIKeyTVADNHSUZGVGAU-UHFFFAOYSA-N
XLogP2.28
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (CID 70764102) is 2-methyl-3-[4-[4-methyl-5-(piperidin-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-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is Cc1nccnc1N1CCC(c2nnc(CN3CCCCC3)n2C)CC1.
What is the InChIKey of 2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The InChIKey is TVADNHSUZGVGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-15-18(21-9-8-20-15)26-12-6-16(7-13-26)19-23-22-17(24(19)2)14-25-10-4-3-5-11-25/h8-9,16H,3-7,10-14H2,1-2H3.
What are the key properties of 2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
2-methyl-3-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine has a molecular weight of 355.49 g/mol, XLogP of 2.28, 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-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 70764102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).