7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C17H29N5 — CID 134793426

IUPAC7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CCC(CN2CCn3c(nnc3C3CCCNC3)C2)CC1
InChIInChI=1S/C17H29N5/c1-2-5-14(6-3-1)12-21-9-10-22-16(13-21)19-20-17(22)15-7-4-8-18-11-15/h14-15,18H,1-13H2
InChIKeyXNJWHZUBFDBVLR-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.14
Rot. Bonds3

About 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134793426) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134793426
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CCC(CN2CCn3c(nnc3C3CCCNC3)C2)CC1
InChIInChI=1S/C17H29N5/c1-2-5-14(6-3-1)12-21-9-10-22-16(13-21)19-20-17(22)15-7-4-8-18-11-15/h14-15,18H,1-13H2
InChIKeyXNJWHZUBFDBVLR-UHFFFAOYSA-N
XLogP2.14
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134793426) is 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is C1CCC(CN2CCn3c(nnc3C3CCCNC3)C2)CC1.
What is the InChIKey of 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XNJWHZUBFDBVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-2-5-14(6-3-1)12-21-9-10-22-16(13-21)19-20-17(22)15-7-4-8-18-11-15/h14-15,18H,1-13H2.
What are the key properties of 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 303.45 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134793426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).