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

C16H24N6 — CID 95867068

IUPACN,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCN(C)Cc1nnc([C@H]2CCCN(c3ccncc3)C2)n1C
InChIInChI=1S/C16H24N6/c1-20(2)12-15-18-19-16(21(15)3)13-5-4-10-22(11-13)14-6-8-17-9-7-14/h6-9,13H,4-5,10-12H2,1-3H3/t13-/m0/s1
InChIKeyJRASRLCEWJEELH-ZDUSSCGKSA-N
MW300.41 g/mol
LogP1.66
Rot. Bonds4

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

N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 95867068) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID95867068
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCN(C)Cc1nnc([C@H]2CCCN(c3ccncc3)C2)n1C
InChIInChI=1S/C16H24N6/c1-20(2)12-15-18-19-16(21(15)3)13-5-4-10-22(11-13)14-6-8-17-9-7-14/h6-9,13H,4-5,10-12H2,1-3H3/t13-/m0/s1
InChIKeyJRASRLCEWJEELH-ZDUSSCGKSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95874854
1-[[4-methyl-5-(1-pyridin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70717146
6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 70722106
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
6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95876992
cyclopropyl-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70752240
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
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
1-[3-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 70783500
4-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pyridine
CID 97153303
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
1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95870699

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine (CID 95867068) is N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine is CN(C)Cc1nnc([C@H]2CCCN(c3ccncc3)C2)n1C.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is JRASRLCEWJEELH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6/c1-20(2)12-15-18-19-16(21(15)3)13-5-4-10-22(11-13)14-6-8-17-9-7-14/h6-9,13H,4-5,10-12H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine?
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 300.41 g/mol, XLogP of 1.66, 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-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 95867068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).