2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride

C11H15ClN6 — CID 68759356

IUPAC2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
SMILESCl.c1cnc(-c2n[nH]c(C3CCNCC3)n2)cn1
InChIInChI=1S/C11H14N6.ClH/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9;/h5-8,12H,1-4H2,(H,15,16,17);1H
InChIKeyFYOGGPKFUSYSLM-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.15
Rot. Bonds2

About 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride

2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride (PubChem CID 68759356) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
PubChem CID68759356
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
SMILESCl.c1cnc(-c2n[nH]c(C3CCNCC3)n2)cn1
InChIInChI=1S/C11H14N6.ClH/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9;/h5-8,12H,1-4H2,(H,15,16,17);1H
InChIKeyFYOGGPKFUSYSLM-UHFFFAOYSA-N
XLogP1.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Sdccgsbi-0659124.P001
CID 53192069
Sdccgsbi-0659126.P001
CID 53192258
2-(5-pyrazin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 13524787
2-[5-(1-isopentyl-3-piperidyl)-4H-1,2,4-triazol-3-yl]pyrazine
CID 53192062
2-{5-[1-(cyclohexylmethyl)-4-piperidyl]-4H-1,2,4-triazol-3-yl}pyrazine
CID 53192292
2-(5-piperidin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 86820405
N-cyclohexyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 91913586
N-cyclopentyl-2-[5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 91913588
3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine
CID 3838266
2-(1H-1,2,4-Triazol-5-yl)pyrazine
CID 12145987
2-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-5-methylpyrazine
CID 72881549
2-[5-(1-tetrahydro-1H-pyrrol-3-yl-4-piperidyl)-4H-1,2,4-triazol-3-yl]pyrazine
CID 53192263

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride?
The IUPAC name of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride (CID 68759356) is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride.
What is the SMILES notation for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride?
The canonical SMILES for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride is Cl.c1cnc(-c2n[nH]c(C3CCNCC3)n2)cn1.
What is the InChIKey of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride?
The InChIKey is FYOGGPKFUSYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6.ClH/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9;/h5-8,12H,1-4H2,(H,15,16,17);1H.
What are the key properties of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride?
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride has a molecular weight of 266.74 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride is sourced from PubChem (CID 68759356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).