N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide

C17H28N6O — CID 134787431

IUPACN-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C17H28N6O/c24-17(19-14-6-2-1-3-7-14)22-9-4-5-13(12-22)16-21-20-15-11-18-8-10-23(15)16/h13-14,18H,1-12H2,(H,19,24)
InChIKeyYLIUBUPTZUOPIP-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.60
Rot. Bonds2

About N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide

N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide (PubChem CID 134787431) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
PubChem CID134787431
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC NameN-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C17H28N6O/c24-17(19-14-6-2-1-3-7-14)22-9-4-5-13(12-22)16-21-20-15-11-18-8-10-23(15)16/h13-14,18H,1-12H2,(H,19,24)
InChIKeyYLIUBUPTZUOPIP-UHFFFAOYSA-N
XLogP1.60
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75443339
N-cyclohexyl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740469
Sdccgsbi-0662590.P001
CID 118740478
N-propan-2-yl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740588
N-cyclohexyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
CID 118740589
1-[2-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 118740590
N-propan-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740591
Piperidin-1-yl-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]methanone
CID 118740592
N-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134791242
1-[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509695
1-[3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509703

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide (CID 134787431) is N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCCC(c2nnc3n2CCNC3)C1.
What is the InChIKey of N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide?
The InChIKey is YLIUBUPTZUOPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c24-17(19-14-6-2-1-3-7-14)22-9-4-5-13(12-22)16-21-20-15-11-18-8-10-23(15)16/h13-14,18H,1-12H2,(H,19,24).
What are the key properties of N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide?
N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 134787431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).