3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine

C14H21N7 — CID 102798101

IUPAC3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine
SMILESCCc1nnc(C)cc1-c1nc(N2CCN[C@@H](C)C2)n[nH]1
InChIInChI=1S/C14H21N7/c1-4-12-11(7-9(2)17-18-12)13-16-14(20-19-13)21-6-5-15-10(3)8-21/h7,10,15H,4-6,8H2,1-3H3,(H,16,19,20)/t10-/m0/s1
InChIKeyFTQQBKOKBCXNAN-JTQLQIEISA-N
MW287.37 g/mol
LogP0.93
Rot. Bonds3

About 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine

3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine (PubChem CID 102798101) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine.

Molecular Properties

Compound Name3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine
PubChem CID102798101
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine
SMILESCCc1nnc(C)cc1-c1nc(N2CCN[C@@H](C)C2)n[nH]1
InChIInChI=1S/C14H21N7/c1-4-12-11(7-9(2)17-18-12)13-16-14(20-19-13)21-6-5-15-10(3)8-21/h7,10,15H,4-6,8H2,1-3H3,(H,16,19,20)/t10-/m0/s1
InChIKeyFTQQBKOKBCXNAN-JTQLQIEISA-N
XLogP0.93
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine with MolForge

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Related Compounds

(3R)-1-[5-(2,4-difluoro-5-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797547
1-[5-(2-bromo-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107981789
(3S)-1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797953
(3S)-3-methyl-1-[5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798133
1-[5-(2,5-dibromophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798280
(3S)-1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798018
1-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798290
3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798204
1-[5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798298
(3S)-1-[5-(2-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797983
4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
CID 102798259
3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798380

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine?
The IUPAC name of 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine (CID 102798101) is 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine.
What is the SMILES notation for 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine?
The canonical SMILES for 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine is CCc1nnc(C)cc1-c1nc(N2CCN[C@@H](C)C2)n[nH]1.
What is the InChIKey of 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine?
The InChIKey is FTQQBKOKBCXNAN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N7/c1-4-12-11(7-9(2)17-18-12)13-16-14(20-19-13)21-6-5-15-10(3)8-21/h7,10,15H,4-6,8H2,1-3H3,(H,16,19,20)/t10-/m0/s1.
What are the key properties of 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine?
3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine has a molecular weight of 287.37 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-4-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]pyridazine is sourced from PubChem (CID 102798101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).