N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C19H28N6O2 — CID 139001241

IUPACN-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC(C)Oc1ccc(C(CNC(=O)N2CCn3cnnc3C2)N(C)C)cc1
InChIInChI=1S/C19H28N6O2/c1-14(2)27-16-7-5-15(6-8-16)17(23(3)4)11-20-19(26)24-9-10-25-13-21-22-18(25)12-24/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,26)
InChIKeyXCQGSHHHZVMXFU-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 139001241) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID139001241
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC(C)Oc1ccc(C(CNC(=O)N2CCn3cnnc3C2)N(C)C)cc1
InChIInChI=1S/C19H28N6O2/c1-14(2)27-16-7-5-15(6-8-16)17(23(3)4)11-20-19(26)24-9-10-25-13-21-22-18(25)12-24/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,26)
InChIKeyXCQGSHHHZVMXFU-UHFFFAOYSA-N
XLogP1.89
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
CID 79193296
4-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(methyl)amino]butanoic acid
CID 64575845
N-[2-(dimethylamino)-2-(4-hydroxyphenyl)ethyl]-5-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 155163746
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
CID 86916289
N-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbothioamide
CID 115620833
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 112503691
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 64575553
3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116908070
1,1-dimethyl-3-[2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]urea
CID 83112295
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443868
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109186368

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 139001241) is N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CC(C)Oc1ccc(C(CNC(=O)N2CCn3cnnc3C2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is XCQGSHHHZVMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14(2)27-16-7-5-15(6-8-16)17(23(3)4)11-20-19(26)24-9-10-25-13-21-22-18(25)12-24/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,26).
What are the key properties of N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139001241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).