3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine

C17H23N5 — CID 70738565

IUPAC3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCCC(c3nccn3CC3CC3)C2)nn1
InChIInChI=1S/C17H23N5/c1-13-4-7-16(20-19-13)21-9-2-3-15(12-21)17-18-8-10-22(17)11-14-5-6-14/h4,7-8,10,14-15H,2-3,5-6,9,11-12H2,1H3
InChIKeyDJIBLDBDZQLVIM-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.78
Rot. Bonds4

About 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine

3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine (PubChem CID 70738565) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine
PubChem CID70738565
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CCCC(c3nccn3CC3CC3)C2)nn1
InChIInChI=1S/C17H23N5/c1-13-4-7-16(20-19-13)21-9-2-3-15(12-21)17-18-8-10-22(17)11-14-5-6-14/h4,7-8,10,14-15H,2-3,5-6,9,11-12H2,1H3
InChIKeyDJIBLDBDZQLVIM-UHFFFAOYSA-N
XLogP2.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726
3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 97208390
2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
CID 70777559
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70734824
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 96574055
4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
CID 97188278
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95871888
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 96572355

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine (CID 70738565) is 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CCCC(c3nccn3CC3CC3)C2)nn1.
What is the InChIKey of 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine?
The InChIKey is DJIBLDBDZQLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-4-7-16(20-19-13)21-9-2-3-15(12-21)17-18-8-10-22(17)11-14-5-6-14/h4,7-8,10,14-15H,2-3,5-6,9,11-12H2,1H3.
What are the key properties of 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine?
3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine has a molecular weight of 297.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 70738565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).