4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine

C18H19N9 — CID 70707181

IUPAC4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESc1cn(-c2ccc(-n3cncn3)cc2)c(-c2cn(C3CCNCC3)nn2)n1
InChIInChI=1S/C18H19N9/c1-3-15(27-13-20-12-22-27)4-2-14(1)25-10-9-21-18(25)17-11-26(24-23-17)16-5-7-19-8-6-16/h1-4,9-13,16,19H,5-8H2
InChIKeyQWJUTLDVGUVQCN-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.64
Rot. Bonds4

About 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine

4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine (PubChem CID 70707181) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
PubChem CID70707181
Molecular FormulaC18H19N9
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESc1cn(-c2ccc(-n3cncn3)cc2)c(-c2cn(C3CCNCC3)nn2)n1
InChIInChI=1S/C18H19N9/c1-3-15(27-13-20-12-22-27)4-2-14(1)25-10-9-21-18(25)17-11-26(24-23-17)16-5-7-19-8-6-16/h1-4,9-13,16,19H,5-8H2
InChIKeyQWJUTLDVGUVQCN-UHFFFAOYSA-N
XLogP1.64
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-6-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-1,3-benzothiazole;hydrochloride
CID 154896676
5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
CID 154898642
4-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-thiazole;hydrochloride
CID 154896103
3-methyl-N-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]ethyl]pyridin-4-amine;dihydrochloride
CID 154896627
(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 154898704
4-[4-[1-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 97143465
4-[4-[1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70780562
4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560
N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
CID 54906609
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole
CID 56899429
4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
CID 155973122

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine?
The IUPAC name of 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine (CID 70707181) is 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine is c1cn(-c2ccc(-n3cncn3)cc2)c(-c2cn(C3CCNCC3)nn2)n1.
What is the InChIKey of 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine?
The InChIKey is QWJUTLDVGUVQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c1-3-15(27-13-20-12-22-27)4-2-14(1)25-10-9-21-18(25)17-11-26(24-23-17)16-5-7-19-8-6-16/h1-4,9-13,16,19H,5-8H2.
What are the key properties of 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine?
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine has a molecular weight of 361.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine is sourced from PubChem (CID 70707181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).