3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine

C13H18N6 — CID 102798380

IUPAC3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1ccc(-c2nc(N3CCNC(C)C3)n[nH]2)cn1
InChIInChI=1S/C13H18N6/c1-9-3-4-11(7-15-9)12-16-13(18-17-12)19-6-5-14-10(2)8-19/h3-4,7,10,14H,5-6,8H2,1-2H3,(H,16,17,18)
InChIKeyYXTFWMAYWIDOFP-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.97
Rot. Bonds2

About 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine

3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102798380) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102798380
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCc1ccc(-c2nc(N3CCNC(C)C3)n[nH]2)cn1
InChIInChI=1S/C13H18N6/c1-9-3-4-11(7-15-9)12-16-13(18-17-12)19-6-5-14-10(2)8-19/h3-4,7,10,14H,5-6,8H2,1-2H3,(H,16,17,18)
InChIKeyYXTFWMAYWIDOFP-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

1-[5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798298
1-[5-(3,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798340
(3R)-1-[5-(4-bromo-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797838
(3S)-1-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797847
(3S)-3-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798174
3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798204
(3R)-1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797761
2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
CID 114031043
(3S)-1-[5-(3-bromo-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107950171
(3S)-1-[5-(4-bromo-3-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798088
(3S)-3-methyl-1-[5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798133
1-[5-(3-bromo-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107517338

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102798380) is 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine is Cc1ccc(-c2nc(N3CCNC(C)C3)n[nH]2)cn1.
What is the InChIKey of 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is YXTFWMAYWIDOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-3-4-11(7-15-9)12-16-13(18-17-12)19-6-5-14-10(2)8-19/h3-4,7,10,14H,5-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine?
3-methyl-1-[5-(6-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-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102798380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).