N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide

C12H20N6O — CID 134788674

IUPACN,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1c1nnc2n1CCNC2
InChIInChI=1S/C12H20N6O/c1-16(2)12(19)17-6-3-4-9(17)11-15-14-10-8-13-5-7-18(10)11/h9,13H,3-8H2,1-2H3
InChIKeyQJAZZXRDQCHHOD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.20
Rot. Bonds1

About N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide

N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 134788674) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
PubChem CID134788674
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1c1nnc2n1CCNC2
InChIInChI=1S/C12H20N6O/c1-16(2)12(19)17-6-3-4-9(17)11-15-14-10-8-13-5-7-18(10)11/h9,13H,3-8H2,1-2H3
InChIKeyQJAZZXRDQCHHOD-UHFFFAOYSA-N
XLogP0.20
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide (CID 134788674) is N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide is CN(C)C(=O)N1CCCC1c1nnc2n1CCNC2.
What is the InChIKey of N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is QJAZZXRDQCHHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-16(2)12(19)17-6-3-4-9(17)11-15-14-10-8-13-5-7-18(10)11/h9,13H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide?
N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 134788674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).