N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

C10H19N5 — CID 82568286

IUPACN,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCN(C)CCc1nc(C2CCCN2)n[nH]1
InChIInChI=1S/C10H19N5/c1-15(2)7-5-9-12-10(14-13-9)8-4-3-6-11-8/h8,11H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGWIGROULAAIJRR-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.33
Rot. Bonds4

About N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 82568286) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID82568286
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCN(C)CCc1nc(C2CCCN2)n[nH]1
InChIInChI=1S/C10H19N5/c1-15(2)7-5-9-12-10(14-13-9)8-4-3-6-11-8/h8,11H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyGWIGROULAAIJRR-UHFFFAOYSA-N
XLogP0.33
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82568309
2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 119032101
5-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 16677923
3-pyrrolidin-2-yl-5-[(2,3,4-trifluorophenyl)methyl]-1H-1,2,4-triazole
CID 82568314
(2S)-2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 131946073
2,2,2-trifluoro-N-[[3-[(2R)-piperidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 125450495
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 61338730
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799212

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (CID 82568286) is N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is CN(C)CCc1nc(C2CCCN2)n[nH]1.
What is the InChIKey of N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is GWIGROULAAIJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15(2)7-5-9-12-10(14-13-9)8-4-3-6-11-8/h8,11H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 209.30 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 82568286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).