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

C11H14N6 — CID 99727825

IUPAC2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnc(-c2n[nH]c([C@H]3CCCCN3)n2)cn1
InChIInChI=1S/C11H14N6/c1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9/h5-8,13H,1-4H2,(H,15,16,17)/t8-/m1/s1
InChIKeyQHPAEAFYXCGMRJ-MRVPVSSYSA-N
MW230.27 g/mol
LogP1.08
Rot. Bonds2

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

2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 99727825) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID99727825
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnc(-c2n[nH]c([C@H]3CCCCN3)n2)cn1
InChIInChI=1S/C11H14N6/c1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9/h5-8,13H,1-4H2,(H,15,16,17)/t8-/m1/s1
InChIKeyQHPAEAFYXCGMRJ-MRVPVSSYSA-N
XLogP1.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2S)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine
CID 99727824
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
CID 68759356
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)azocane
CID 114239965
3-(4-tert-butylphenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82463448
2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569152
2-(1H-1,2,4-triazol-5-yl)piperidine
CID 61361223
4-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-2-amine
CID 110266729
3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569078
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913590
N-[5-[(2R)-piperidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95836642
2-methyl-6-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-4-amine;hydrochloride
CID 171688192

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine (CID 99727825) is 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine is c1cnc(-c2n[nH]c([C@H]3CCCCN3)n2)cn1.
What is the InChIKey of 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is QHPAEAFYXCGMRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9/h5-8,13H,1-4H2,(H,15,16,17)/t8-/m1/s1.
What are the key properties of 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 230.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 99727825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).