3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine

C17H21N9 — CID 72883483

IUPAC3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
SMILESc1cnnc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)c1
InChIInChI=1S/C17H21N9/c1-2-15(21-19-7-1)24-8-5-13(6-9-24)17-23-22-16(26(17)14-3-4-14)10-25-12-18-11-20-25/h1-2,7,11-14H,3-6,8-10H2
InChIKeyIRTJOOWVPXSRNO-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.43
Rot. Bonds5

About 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine

3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine (PubChem CID 72883483) has the molecular formula C17H21N9 and a molecular weight of 351.42 g/mol. Its IUPAC name is 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
PubChem CID72883483
Molecular FormulaC17H21N9
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
SMILESc1cnnc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)c1
InChIInChI=1S/C17H21N9/c1-2-15(21-19-7-1)24-8-5-13(6-9-24)17-23-22-16(26(17)14-3-4-14)10-25-12-18-11-20-25/h1-2,7,11-14H,3-6,8-10H2
InChIKeyIRTJOOWVPXSRNO-UHFFFAOYSA-N
XLogP1.43
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine with MolForge

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Related Compounds

4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)piperidine
CID 72876501
1-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 72845474
4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine
CID 72912999
ethyl 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72889436
2-amino-1-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 72862911
4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 70768111
1-benzyl-4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72880455
4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
CID 72861012
2-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-fluoropyridine
CID 72868380
4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methoxypyrimidine
CID 72853459
4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine
CID 72914185
3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 72891700

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?
The IUPAC name of 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine (CID 72883483) is 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine is c1cnnc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)c1.
What is the InChIKey of 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?
The InChIKey is IRTJOOWVPXSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9/c1-2-15(21-19-7-1)24-8-5-13(6-9-24)17-23-22-16(26(17)14-3-4-14)10-25-12-18-11-20-25/h1-2,7,11-14H,3-6,8-10H2.
What are the key properties of 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?
3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine has a molecular weight of 351.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine is sourced from PubChem (CID 72883483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).