N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine

C19H22ClN7 — CID 91135311

IUPACN-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine
SMILESCc1nnc(N2CCC(CNc3ncccn3)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN7/c1-14-24-25-19(27(14)17-5-3-16(20)4-6-17)26-11-7-15(8-12-26)13-23-18-21-9-2-10-22-18/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyRDXSRBVTBMEOHO-UHFFFAOYSA-N
MW383.89 g/mol
LogP3.35
Rot. Bonds5

About N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine

N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine (PubChem CID 91135311) has the molecular formula C19H22ClN7 and a molecular weight of 383.89 g/mol. Its IUPAC name is N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine
PubChem CID91135311
Molecular FormulaC19H22ClN7
Molecular Weight383.89 g/mol
Exact Mass383.16
IUPAC NameN-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine
SMILESCc1nnc(N2CCC(CNc3ncccn3)CC2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN7/c1-14-24-25-19(27(14)17-5-3-16(20)4-6-17)26-11-7-15(8-12-26)13-23-18-21-9-2-10-22-18/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyRDXSRBVTBMEOHO-UHFFFAOYSA-N
XLogP3.35
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

PF-184563
CID 11237434
(20) 1H-1,2,4-triazol-3-yl-anilines 3-F3C,4-Cl(C6H4) 4-Pyridine
CID 57339851
N-(4-Chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219776
N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 866540
N4-(4-chlorophenyl)-N6,N6-diethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545974
p38 MAP Kinase Inhibitor V
CID 9884921
2-[4-[4-[(3-Chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10474163
2-[4-(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11278622
8-Chloro-1-(3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-yl)-5,6-dihydro4h-2,3,5,10b-tetraaza-benzo[e]azulene
CID 11326488
2-[4-[4-(4-Chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11451056
N-(4-chlorophenyl)-3-(4-pyridinyl)-1H-1,2,4-triazole-5-methanamine
CID 16066456
N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 26745607

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine (CID 91135311) is N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine is Cc1nnc(N2CCC(CNc3ncccn3)CC2)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is RDXSRBVTBMEOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7/c1-14-24-25-19(27(14)17-5-3-16(20)4-6-17)26-11-7-15(8-12-26)13-23-18-21-9-2-10-22-18/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,21,22,23).
What are the key properties of N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine?
N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 383.89 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 91135311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).