7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

C20H27N5O3 — CID 71447983

IUPAC7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCC(Cc1ccc2c(c1)OCO2)CN1CCn2c(nnc2C(=O)NC(C)C)C1
InChIInChI=1S/C20H27N5O3/c1-13(2)21-20(26)19-23-22-18-11-24(6-7-25(18)19)10-14(3)8-15-4-5-16-17(9-15)28-12-27-16/h4-5,9,13-14H,6-8,10-12H2,1-3H3,(H,21,26)
InChIKeyIVYXQVZJALSAMH-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.84
Rot. Bonds6

About 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 71447983) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID71447983
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCC(Cc1ccc2c(c1)OCO2)CN1CCn2c(nnc2C(=O)NC(C)C)C1
InChIInChI=1S/C20H27N5O3/c1-13(2)21-20(26)19-23-22-18-11-24(6-7-25(18)19)10-14(3)8-15-4-5-16-17(9-15)28-12-27-16/h4-5,9,13-14H,6-8,10-12H2,1-3H3,(H,21,26)
InChIKeyIVYXQVZJALSAMH-UHFFFAOYSA-N
XLogP1.84
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 71448451
N-[[7-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 26343774
N-[[7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]propane-2-sulfonamide
CID 45186845
N-[2-[7-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-2-phenoxyacetamide
CID 26350226
5-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97196660
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179498
3-[[4-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 99953876
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073984
trimethylsilyl 3-(1,3-benzodioxol-5-yl)-2-(trimethylsilylamino)propanoate
CID 612631
3-[1-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 74233774

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 71447983) is 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is CC(Cc1ccc2c(c1)OCO2)CN1CCn2c(nnc2C(=O)NC(C)C)C1.
What is the InChIKey of 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is IVYXQVZJALSAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13(2)21-20(26)19-23-22-18-11-24(6-7-25(18)19)10-14(3)8-15-4-5-16-17(9-15)28-12-27-16/h4-5,9,13-14H,6-8,10-12H2,1-3H3,(H,21,26).
What are the key properties of 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71447983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).