tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C19H24N4O2 — CID 44588426

IUPACtert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1ccccc1-n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C19H24N4O2/c1-14-7-5-6-8-17(14)23-13-16(20-21-23)15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-9,13H,10-12H2,1-4H3
InChIKeyJMIBSVABGHKOBI-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 44588426) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID44588426
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nametert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1ccccc1-n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C19H24N4O2/c1-14-7-5-6-8-17(14)23-13-16(20-21-23)15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-9,13H,10-12H2,1-4H3
InChIKeyJMIBSVABGHKOBI-UHFFFAOYSA-N
XLogP3.60
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Tert-butoxycarbonyl-4-(1-phenyl-1,2,3-triazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 19705292
tert-Butyl-4-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxylate
CID 44588385
tert-butyl 4-[1-(3-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44588386
tert-Butyl 4-[1-(4-fluorophenyl)-1H-[1,2,3]triazol-4-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 44588425
1-[4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylbutan-1-one
CID 44588429
tert-Butyl 4-[1-(pyridin-3-yl)-1H-[1,2,3]triazol-4-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 44588461
tert-butyl 4-[1-(pyridin-4-yl)-1H-[1,2,3]triazol-4-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 44588462
Tert-butyl 4-[1-[4-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperazine-1-carboxylate
CID 155530371
1-(4,6-Dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one
CID 44825909
allyl 4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
CID 46902447
methyl 4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
CID 46902448
isobutyl 4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
CID 46902449

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 44588426) is tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1ccccc1-n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)nn1.
What is the InChIKey of tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JMIBSVABGHKOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-7-5-6-8-17(14)23-13-16(20-21-23)15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-9,13H,10-12H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2-methylphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 44588426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).