N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C18H25N7O — CID 91913586

IUPACN-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCCC1c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C18H25N7O/c26-18(21-13-6-2-1-3-7-13)25-11-5-4-8-15(25)17-22-16(23-24-17)14-12-19-9-10-20-14/h9-10,12-13,15H,1-8,11H2,(H,21,26)(H,22,23,24)
InChIKeyGIVUWUMLIKYTGZ-UHFFFAOYSA-N
MW355.45 g/mol
LogP2.83
Rot. Bonds3

About N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 91913586) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID91913586
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC NameN-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCCC1c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C18H25N7O/c26-18(21-13-6-2-1-3-7-13)25-11-5-4-8-15(25)17-22-16(23-24-17)14-12-19-9-10-20-14/h9-10,12-13,15H,1-8,11H2,(H,21,26)(H,22,23,24)
InChIKeyGIVUWUMLIKYTGZ-UHFFFAOYSA-N
XLogP2.83
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 91913586) is N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCCCC1c1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is GIVUWUMLIKYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c26-18(21-13-6-2-1-3-7-13)25-11-5-4-8-15(25)17-22-16(23-24-17)14-12-19-9-10-20-14/h9-10,12-13,15H,1-8,11H2,(H,21,26)(H,22,23,24).
What are the key properties of N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91913586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).