N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine

C13H20N6 — CID 138009063

IUPACN,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
SMILESCN(C)CCC1CCCN1c1nccn2cnnc12
InChIInChI=1S/C13H20N6/c1-17(2)8-5-11-4-3-7-19(11)12-13-16-15-10-18(13)9-6-14-12/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyRXSRCONGXUMCQG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.04
Rot. Bonds4

About N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine

N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine (PubChem CID 138009063) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
PubChem CID138009063
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
SMILESCN(C)CCC1CCCN1c1nccn2cnnc12
InChIInChI=1S/C13H20N6/c1-17(2)8-5-11-4-3-7-19(11)12-13-16-15-10-18(13)9-6-14-12/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyRXSRCONGXUMCQG-UHFFFAOYSA-N
XLogP1.04
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide
CID 146128604
cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129480645
1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone
CID 124885634
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
CID 80506375
8-[(2R)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 125136281
8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 124730441
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
N-(2-bromoethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80676331
N-(2-bromoethyl)-N-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 102871523
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114682577
4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide
CID 119933987

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine (CID 138009063) is N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine is CN(C)CCC1CCCN1c1nccn2cnnc12.
What is the InChIKey of N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine?
The InChIKey is RXSRCONGXUMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-17(2)8-5-11-4-3-7-19(11)12-13-16-15-10-18(13)9-6-14-12/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine?
N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 138009063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).