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

C17H21N7O — CID 154768144

IUPAC[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone
SMILESCc1nnc2n1CC(CN(C)C)N(C(=O)c1cccc3[nH]ncc13)C2
InChIInChI=1S/C17H21N7O/c1-11-19-21-16-10-24(12(8-22(2)3)9-23(11)16)17(25)13-5-4-6-15-14(13)7-18-20-15/h4-7,12H,8-10H2,1-3H3,(H,18,20)
InChIKeyPHBUHNWGHQUBHS-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.05
Rot. Bonds3

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

[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone (PubChem CID 154768144) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone
PubChem CID154768144
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone
SMILESCc1nnc2n1CC(CN(C)C)N(C(=O)c1cccc3[nH]ncc13)C2
InChIInChI=1S/C17H21N7O/c1-11-19-21-16-10-24(12(8-22(2)3)9-23(11)16)17(25)13-5-4-6-15-14(13)7-18-20-15/h4-7,12H,8-10H2,1-3H3,(H,18,20)
InChIKeyPHBUHNWGHQUBHS-UHFFFAOYSA-N
XLogP1.05
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone 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]-(2-methyl-1,3-benzoxazol-4-yl)methanone
CID 154768138
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
1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
CID 11514570
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
CID 100671336
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
1-[7-(1H-indazole-4-carbonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-methylpropan-1-one
CID 171674633
1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736031
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [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) is [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone is Cc1nnc2n1CC(CN(C)C)N(C(=O)c1cccc3[nH]ncc13)C2.
What is the InChIKey of [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is PHBUHNWGHQUBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-19-21-16-10-24(12(8-22(2)3)9-23(11)16)17(25)13-5-4-6-15-14(13)7-18-20-15/h4-7,12H,8-10H2,1-3H3,(H,18,20).
What are the key properties of [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone?
[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 154768144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).