2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine

C18H26N6 — CID 53192069

IUPAC2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnc(-c2n[nH]c(C3CCCN(CC4CCCCC4)C3)n2)cn1
InChIInChI=1S/C18H26N6/c1-2-5-14(6-3-1)12-24-10-4-7-15(13-24)17-21-18(23-22-17)16-11-19-8-9-20-16/h8-9,11,14-15H,1-7,10,12-13H2,(H,21,22,23)
InChIKeySHODSFNXADKVHU-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.02
Rot. Bonds4

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

2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 53192069) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID53192069
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnc(-c2n[nH]c(C3CCCN(CC4CCCCC4)C3)n2)cn1
InChIInChI=1S/C18H26N6/c1-2-5-14(6-3-1)12-24-10-4-7-15(13-24)17-21-18(23-22-17)16-11-19-8-9-20-16/h8-9,11,14-15H,1-7,10,12-13H2,(H,21,22,23)
InChIKeySHODSFNXADKVHU-UHFFFAOYSA-N
XLogP3.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine (CID 53192069) is 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine is c1cnc(-c2n[nH]c(C3CCCN(CC4CCCCC4)C3)n2)cn1.
What is the InChIKey of 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is SHODSFNXADKVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-2-5-14(6-3-1)12-24-10-4-7-15(13-24)17-21-18(23-22-17)16-11-19-8-9-20-16/h8-9,11,14-15H,1-7,10,12-13H2,(H,21,22,23).
What are the key properties of 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 326.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(cyclohexylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 53192069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).