2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C27H36N8 — CID 58161891

IUPAC2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(C)Cc1ncn(-c2cccc(C(C)(C)c3cccc(-n4cnc(CC(C)(C)C)n4)n3)n2)n1
InChIInChI=1S/C27H36N8/c1-25(2,3)15-21-28-17-34(32-21)23-13-9-11-19(30-23)27(7,8)20-12-10-14-24(31-20)35-18-29-22(33-35)16-26(4,5)6/h9-14,17-18H,15-16H2,1-8H3
InChIKeyNKGIWQABODBUFL-UHFFFAOYSA-N
MW472.64 g/mol
LogP5.14
Rot. Bonds6

About 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine

2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 58161891) has the molecular formula C27H36N8 and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
PubChem CID58161891
Molecular FormulaC27H36N8
Molecular Weight472.64 g/mol
Exact Mass472.31
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(C)Cc1ncn(-c2cccc(C(C)(C)c3cccc(-n4cnc(CC(C)(C)C)n4)n3)n2)n1
InChIInChI=1S/C27H36N8/c1-25(2,3)15-21-28-17-34(32-21)23-13-9-11-19(30-23)27(7,8)20-12-10-14-24(31-20)35-18-29-22(33-35)16-26(4,5)6/h9-14,17-18H,15-16H2,1-8H3
InChIKeyNKGIWQABODBUFL-UHFFFAOYSA-N
XLogP5.14
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine with MolForge

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Related Compounds

3-(2,2-dimethylpropyl)-1-(3-fluorophenyl)-1,2,4-triazole
CID 166495018
3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 59645757
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
CID 54687240
6-[bis[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]-(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid
CID 59342930
2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine
CID 157316786
2-(3-methylsulfanyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methylsulfanyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
CID 58084451
4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 158279519
5-tert-butyl-2-[6-[2-[6-(5-tert-butyl-4-cyano-3H-pyrazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyrazol-3-ide-4-carbonitrile;platinum(2+)
CID 58444740
2-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 166590913
2-(4-tert-butylimidazol-1-yl)-6-[2-[6-(4-tert-butyl-3-methyl-2H-imidazol-3-ium-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine
CID 153290521
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
CID 170257240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 58161891) is 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(C)Cc1ncn(-c2cccc(C(C)(C)c3cccc(-n4cnc(CC(C)(C)C)n4)n3)n2)n1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is NKGIWQABODBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8/c1-25(2,3)15-21-28-17-34(32-21)23-13-9-11-19(30-23)27(7,8)20-12-10-14-24(31-20)35-18-29-22(33-35)16-26(4,5)6/h9-14,17-18H,15-16H2,1-8H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 472.64 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 58161891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).