2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

C20H24N6 — CID 10020675

IUPAC2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCc1cccc(Cn2c(C)nnc2C2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H24N6/c1-15-5-3-6-17(13-15)14-26-16(2)23-24-19(26)18-7-11-25(12-8-18)20-21-9-4-10-22-20/h3-6,9-10,13,18H,7-8,11-12,14H2,1-2H3
InChIKeyHARAVFLTFXJUOK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.12
Rot. Bonds4

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

2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 10020675) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
PubChem CID10020675
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCc1cccc(Cn2c(C)nnc2C2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H24N6/c1-15-5-3-6-17(13-15)14-26-16(2)23-24-19(26)18-7-11-25(12-8-18)20-21-9-4-10-22-20/h3-6,9-10,13,18H,7-8,11-12,14H2,1-2H3
InChIKeyHARAVFLTFXJUOK-UHFFFAOYSA-N
XLogP3.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2-Phenyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 327263
Minozac free base
CID 11515480
VU0080241
CID 3260619
2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 750850
2-[4-[(4-Ethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 791481

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (CID 10020675) is 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is Cc1cccc(Cn2c(C)nnc2C2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The InChIKey is HARAVFLTFXJUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-5-3-6-17(13-15)14-26-16(2)23-24-19(26)18-7-11-25(12-8-18)20-21-9-4-10-22-20/h3-6,9-10,13,18H,7-8,11-12,14H2,1-2H3.
What are the key properties of 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 10020675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).