N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine

C15H28N6 — CID 123536747

IUPACN,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESCNC(C)(CC1CN(C)Cc2nncn21)CN1CCCC1
InChIInChI=1S/C15H28N6/c1-15(16-2,11-20-6-4-5-7-20)8-13-9-19(3)10-14-18-17-12-21(13)14/h12-13,16H,4-11H2,1-3H3
InChIKeyGIDZFQGSDGLLKO-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.73
Rot. Bonds5

About N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine

N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine (PubChem CID 123536747) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine
PubChem CID123536747
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC NameN,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine
SMILESCNC(C)(CC1CN(C)Cc2nncn21)CN1CCCC1
InChIInChI=1S/C15H28N6/c1-15(16-2,11-20-6-4-5-7-20)8-13-9-19(3)10-14-18-17-12-21(13)14/h12-13,16H,4-11H2,1-3H3
InChIKeyGIDZFQGSDGLLKO-UHFFFAOYSA-N
XLogP0.73
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine (CID 123536747) is N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine is CNC(C)(CC1CN(C)Cc2nncn21)CN1CCCC1.
What is the InChIKey of N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is GIDZFQGSDGLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-15(16-2,11-20-6-4-5-7-20)8-13-9-19(3)10-14-18-17-12-21(13)14/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine?
N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 123536747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).