4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine

C17H23N9 — CID 72912999

IUPAC4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ncn(Cc2nnc(C3CCN(Cc4cnc[nH]4)CC3)n2C2CC2)n1
InChIInChI=1S/C17H23N9/c1-2-15(1)26-16(9-25-12-19-11-21-25)22-23-17(26)13-3-5-24(6-4-13)8-14-7-18-10-20-14/h7,10-13,15H,1-6,8-9H2,(H,18,20)
InChIKeyCEZWBURNWPGLLT-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.36
Rot. Bonds6

About 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine

4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine (PubChem CID 72912999) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine
PubChem CID72912999
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC Name4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine
SMILESc1ncn(Cc2nnc(C3CCN(Cc4cnc[nH]4)CC3)n2C2CC2)n1
InChIInChI=1S/C17H23N9/c1-2-15(1)26-16(9-25-12-19-11-21-25)22-23-17(26)13-3-5-24(6-4-13)8-14-7-18-10-20-14/h7,10-13,15H,1-6,8-9H2,(H,18,20)
InChIKeyCEZWBURNWPGLLT-UHFFFAOYSA-N
XLogP1.36
TPSA93.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
3-[4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 72883483
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
1-benzyl-4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72880455
1-(2,2-dimethylpropyl)-4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72912481
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 136533416
1-[[5-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95873103
4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(2-methylphenyl)methyl]piperidine
CID 72883399
4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 72881385
4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 72862443

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine (CID 72912999) is 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine is c1ncn(Cc2nnc(C3CCN(Cc4cnc[nH]4)CC3)n2C2CC2)n1.
What is the InChIKey of 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine?
The InChIKey is CEZWBURNWPGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9/c1-2-15(1)26-16(9-25-12-19-11-21-25)22-23-17(26)13-3-5-24(6-4-13)8-14-7-18-10-20-14/h7,10-13,15H,1-6,8-9H2,(H,18,20).
What are the key properties of 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine?
4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine has a molecular weight of 353.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(1H-imidazol-5-ylmethyl)piperidine is sourced from PubChem (CID 72912999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).