1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide

C15H22N6O — CID 171326333

IUPAC1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nnc2c(N3CCC(C(N)=O)CC3)nccn12
InChIInChI=1S/C15H22N6O/c1-15(2,3)14-19-18-13-12(17-6-9-21(13)14)20-7-4-10(5-8-20)11(16)22/h6,9-10H,4-5,7-8H2,1-3H3,(H2,16,22)
InChIKeyIRMOBOPSASWFHD-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.12
Rot. Bonds2

About 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide

1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide (PubChem CID 171326333) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide
PubChem CID171326333
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nnc2c(N3CCC(C(N)=O)CC3)nccn12
InChIInChI=1S/C15H22N6O/c1-15(2,3)14-19-18-13-12(17-6-9-21(13)14)20-7-4-10(5-8-20)11(16)22/h6,9-10H,4-5,7-8H2,1-3H3,(H2,16,22)
InChIKeyIRMOBOPSASWFHD-UHFFFAOYSA-N
XLogP1.12
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-8-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 171997761
1-[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]piperidine-4-carboxamide
CID 80754104
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321
1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154582460
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 129417782
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 103323254
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
(8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid
CID 67250553
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 133366062
1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 154883318

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide (CID 171326333) is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide is CC(C)(C)c1nnc2c(N3CCC(C(N)=O)CC3)nccn12.
What is the InChIKey of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide?
The InChIKey is IRMOBOPSASWFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-15(2,3)14-19-18-13-12(17-6-9-21(13)14)20-7-4-10(5-8-20)11(16)22/h6,9-10H,4-5,7-8H2,1-3H3,(H2,16,22).
What are the key properties of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide?
1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-4-carboxamide is sourced from PubChem (CID 171326333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).