3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine

C13H18N6 — CID 102798204

IUPAC3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1ncccc1-c1nc(N2CCNC(C)C2)n[nH]1
InChIInChI=1S/C13H18N6/c1-9-8-19(7-6-14-9)13-16-12(17-18-13)11-4-3-5-15-10(11)2/h3-5,9,14H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyMOZZKFODXCPHFM-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.97
Rot. Bonds2

About 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine

3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102798204) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102798204
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1ncccc1-c1nc(N2CCNC(C)C2)n[nH]1
InChIInChI=1S/C13H18N6/c1-9-8-19(7-6-14-9)13-16-12(17-18-13)11-4-3-5-15-10(11)2/h3-5,9,14H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyMOZZKFODXCPHFM-UHFFFAOYSA-N
XLogP0.97
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798018
(3S)-1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797869
(3S)-1-[5-(2-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797983
1-[5-(2-bromo-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107981789
1-[5-(3-bromo-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107517338
(3S)-1-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797945
(3S)-1-[5-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798006
3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798380
(3S)-3-methyl-1-[5-(2-nitrophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797942
(3R)-1-[5-(2,4-difluoro-5-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797547
4-methyl-5-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]-1,3-oxazole
CID 102797978
(3R)-1-[5-(2-bromo-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797662

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102798204) is 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine is Cc1ncccc1-c1nc(N2CCNC(C)C2)n[nH]1.
What is the InChIKey of 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is MOZZKFODXCPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-8-19(7-6-14-9)13-16-12(17-18-13)11-4-3-5-15-10(11)2/h3-5,9,14H,6-8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 258.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102798204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).