3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine

C20H21N7 — CID 131927620

IUPAC3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine
SMILESCc1cccc(Cn2nc(Cc3cccnc3)nc2CCn2cncn2)c1
InChIInChI=1S/C20H21N7/c1-16-4-2-5-18(10-16)13-27-20(7-9-26-15-22-14-23-26)24-19(25-27)11-17-6-3-8-21-12-17/h2-6,8,10,12,14-15H,7,9,11,13H2,1H3
InChIKeyOJLDZDCARDISQQ-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.45
Rot. Bonds7

About 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine

3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine (PubChem CID 131927620) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine
PubChem CID131927620
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine
SMILESCc1cccc(Cn2nc(Cc3cccnc3)nc2CCn2cncn2)c1
InChIInChI=1S/C20H21N7/c1-16-4-2-5-18(10-16)13-27-20(7-9-26-15-22-14-23-26)24-19(25-27)11-17-6-3-8-21-12-17/h2-6,8,10,12,14-15H,7,9,11,13H2,1H3
InChIKeyOJLDZDCARDISQQ-UHFFFAOYSA-N
XLogP2.45
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine with MolForge

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Related Compounds

5-(ethoxymethyl)-1-[(3-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazole
CID 72893683
(5S)-5-[2-[(3-methylphenyl)methyl]-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 164632130
2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
CID 63274880
1-[3-(pyridin-3-ylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131920001
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
3-[[1-pyridin-4-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]pyridine
CID 131946942
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 104737196
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 166187501
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 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine?
The IUPAC name of 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine (CID 131927620) is 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine is Cc1cccc(Cn2nc(Cc3cccnc3)nc2CCn2cncn2)c1.
What is the InChIKey of 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine?
The InChIKey is OJLDZDCARDISQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-16-4-2-5-18(10-16)13-27-20(7-9-26-15-22-14-23-26)24-19(25-27)11-17-6-3-8-21-12-17/h2-6,8,10,12,14-15H,7,9,11,13H2,1H3.
What are the key properties of 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine?
3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine has a molecular weight of 359.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3-methylphenyl)methyl]-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]pyridine is sourced from PubChem (CID 131927620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).