(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone

C17H21N5O — CID 16668285

IUPAC(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1
InChIInChI=1S/C17H21N5O/c1-20(2)14-5-3-4-13(10-14)17(23)21-8-9-22-15(11-21)18-19-16(22)12-6-7-12/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyOKRHLULYVXIGQN-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.88
Rot. Bonds3

About (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone (PubChem CID 16668285) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone
PubChem CID16668285
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1
InChIInChI=1S/C17H21N5O/c1-20(2)14-5-3-4-13(10-14)17(23)21-8-9-22-15(11-21)18-19-16(22)12-6-7-12/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyOKRHLULYVXIGQN-UHFFFAOYSA-N
XLogP1.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone (CID 16668285) is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c1.
What is the InChIKey of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone?
The InChIKey is OKRHLULYVXIGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-20(2)14-5-3-4-13(10-14)17(23)21-8-9-22-15(11-21)18-19-16(22)12-6-7-12/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone?
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone has a molecular weight of 311.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 16668285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).