N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine

C21H28N6 — CID 95860779

IUPACN,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1cc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)nc2ccccc12
InChIInChI=1S/C21H28N6/c1-15-12-19(22-18-10-6-5-9-17(15)18)27-11-7-8-16(13-27)21-24-23-20(26(21)4)14-25(2)3/h5-6,9-10,12,16H,7-8,11,13-14H2,1-4H3/t16-/m0/s1
InChIKeyFDRQXGXJDHUMEE-INIZCTEOSA-N
MW364.50 g/mol
LogP3.12
Rot. Bonds4

About N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine

N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 95860779) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID95860779
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCc1cc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)nc2ccccc12
InChIInChI=1S/C21H28N6/c1-15-12-19(22-18-10-6-5-9-17(15)18)27-11-7-8-16(13-27)21-24-23-20(26(21)4)14-25(2)3/h5-6,9-10,12,16H,7-8,11,13-14H2,1-4H3/t16-/m0/s1
InChIKeyFDRQXGXJDHUMEE-INIZCTEOSA-N
XLogP3.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 95868685
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95867068
6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 70722106
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95876992
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95882691
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
1-[5-[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95869172
1-[3-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 70783500
1-[5-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95893994
2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 124883360

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine (CID 95860779) is N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine is Cc1cc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is FDRQXGXJDHUMEE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N6/c1-15-12-19(22-18-10-6-5-9-17(15)18)27-11-7-8-16(13-27)21-24-23-20(26(21)4)14-25(2)3/h5-6,9-10,12,16H,7-8,11,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 364.50 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 N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 95860779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).