2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C17H25N7O — CID 167955628

IUPAC2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1nnc2n1CC(CN(C)C)N(C(=O)Cn1cc(C3CC3)cn1)C2
InChIInChI=1S/C17H25N7O/c1-12-19-20-16-10-24(15(8-21(2)3)9-23(12)16)17(25)11-22-7-14(6-18-22)13-4-5-13/h6-7,13,15H,4-5,8-11H2,1-3H3
InChIKeyQVEDGLDTIYFHAH-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.63
Rot. Bonds5

About 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 167955628) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID167955628
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1nnc2n1CC(CN(C)C)N(C(=O)Cn1cc(C3CC3)cn1)C2
InChIInChI=1S/C17H25N7O/c1-12-19-20-16-10-24(15(8-21(2)3)9-23(12)16)17(25)11-22-7-14(6-18-22)13-4-5-13/h6-7,13,15H,4-5,8-11H2,1-3H3
InChIKeyQVEDGLDTIYFHAH-UHFFFAOYSA-N
XLogP0.63
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone with MolForge

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Related Compounds

[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone
CID 154768144
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 156799354
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693
7-(4,4-dimethylcyclohexanecarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 154761792
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine
CID 92634262
1-[2-oxo-2-(2-propan-2-ylazetidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 146126031
7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122072792
4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 146135721
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124996250
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 94589837

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 167955628) is 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is Cc1nnc2n1CC(CN(C)C)N(C(=O)Cn1cc(C3CC3)cn1)C2.
What is the InChIKey of 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is QVEDGLDTIYFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12-19-20-16-10-24(15(8-21(2)3)9-23(12)16)17(25)11-22-7-14(6-18-22)13-4-5-13/h6-7,13,15H,4-5,8-11H2,1-3H3.
What are the key properties of 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 343.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpyrazol-1-yl)-1-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 167955628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).