N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine

C13H25N5 — CID 124755825

IUPACN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(CN(C)CCN2CCCC[C@@H]2C)n[nH]1
InChIInChI=1S/C13H25N5/c1-11-6-4-5-7-18(11)9-8-17(3)10-13-14-12(2)15-16-13/h11H,4-10H2,1-3H3,(H,14,15,16)/t11-/m0/s1
InChIKeyRGJGZXJDOBZZGS-NSHDSACASA-N
MW251.38 g/mol
LogP1.42
Rot. Bonds5

About N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 124755825) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID124755825
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(CN(C)CCN2CCCC[C@@H]2C)n[nH]1
InChIInChI=1S/C13H25N5/c1-11-6-4-5-7-18(11)9-8-17(3)10-13-14-12(2)15-16-13/h11H,4-10H2,1-3H3,(H,14,15,16)/t11-/m0/s1
InChIKeyRGJGZXJDOBZZGS-NSHDSACASA-N
XLogP1.42
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 91662957
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61276907
N-Cyclohexyl-2-(5-methyl-4H-1,2,4-triazol-3-YL)piperidine-1-carboxamide
CID 110194759
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
CID 110194762
(2R*,6S*)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 50973592
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 75439955
1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
CID 95132693
(2S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-1-propan-2-ylpiperazine
CID 124752864
(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 124755225
N,N'-[1H-1,2,4-Triazole-3,5-diylbis(methylene)]bis(N-ethylethanamine) dihydrochloride
CID 745893
2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82568366

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine (CID 124755825) is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1nc(CN(C)CCN2CCCC[C@@H]2C)n[nH]1.
What is the InChIKey of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is RGJGZXJDOBZZGS-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N5/c1-11-6-4-5-7-18(11)9-8-17(3)10-13-14-12(2)15-16-13/h11H,4-10H2,1-3H3,(H,14,15,16)/t11-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 251.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 124755825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).