4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine

C24H26N6 — CID 135279927

IUPAC4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine
SMILESCc1ccncc1-c1ccc(C(C)CCC(C)c2ccc(-n3ccnn3)cn2)nc1
InChIInChI=1S/C24H26N6/c1-17-10-11-25-16-22(17)20-6-8-23(26-14-20)18(2)4-5-19(3)24-9-7-21(15-27-24)30-13-12-28-29-30/h6-16,18-19H,4-5H2,1-3H3
InChIKeyLXLOIPQBIGVRBA-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.12
Rot. Bonds7

About 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine

4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine (PubChem CID 135279927) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine
PubChem CID135279927
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine
SMILESCc1ccncc1-c1ccc(C(C)CCC(C)c2ccc(-n3ccnn3)cn2)nc1
InChIInChI=1S/C24H26N6/c1-17-10-11-25-16-22(17)20-6-8-23(26-14-20)18(2)4-5-19(3)24-9-7-21(15-27-24)30-13-12-28-29-30/h6-16,18-19H,4-5H2,1-3H3
InChIKeyLXLOIPQBIGVRBA-UHFFFAOYSA-N
XLogP5.12
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine with MolForge

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Related Compounds

3-(4-ethylphenyl)-4-methylpyridine
CID 121385790
2-fluoro-5-(triazol-1-yl)pyridine
CID 58128556
2-methyl-4-(4-methyl-3-pyridinyl)phenol
CID 83130962
2-benzylsulfanyl-5-(triazol-1-yl)pyridine;ethane
CID 171804943
N-methyl-1-[4-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66274011
1-(5-pyrazol-1-yl-2-pyridinyl)ethanol
CID 83132104
5-methyl-2-pentan-2-ylpyridine
CID 121401028
2-methyl-4-(triazol-1-yl)aniline
CID 82512131
4-methyl-3-[4-methyl-3,5-di(propan-2-yl)phenyl]pyridine
CID 129189337
1-(3-chloro-4-methylphenyl)triazole
CID 144674616
3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 97244358
3-(3,5-dimethylphenyl)-4-methylpyridine
CID 102097764

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine?
The IUPAC name of 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine (CID 135279927) is 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine.
What is the SMILES notation for 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine?
The canonical SMILES for 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine is Cc1ccncc1-c1ccc(C(C)CCC(C)c2ccc(-n3ccnn3)cn2)nc1.
What is the InChIKey of 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine?
The InChIKey is LXLOIPQBIGVRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-17-10-11-25-16-22(17)20-6-8-23(26-14-20)18(2)4-5-19(3)24-9-7-21(15-27-24)30-13-12-28-29-30/h6-16,18-19H,4-5H2,1-3H3.
What are the key properties of 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine?
4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine has a molecular weight of 398.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[6-[5-[5-(triazol-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]pyridine is sourced from PubChem (CID 135279927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).