3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C15H19N5O2 — CID 134793905

IUPAC3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)N(C)C)C3)cc1
InChIInChI=1S/C15H19N5O2/c1-18(2)15(21)19-8-9-20-13(10-19)16-17-14(20)11-4-6-12(22-3)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyQSNMXUHJCBDXDI-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.45
Rot. Bonds2

About 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 134793905) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID134793905
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)N(C)C)C3)cc1
InChIInChI=1S/C15H19N5O2/c1-18(2)15(21)19-8-9-20-13(10-19)16-17-14(20)11-4-6-12(22-3)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyQSNMXUHJCBDXDI-UHFFFAOYSA-N
XLogP1.45
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 134793905) is 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is COc1ccc(-c2nnc3n2CCN(C(=O)N(C)C)C3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is QSNMXUHJCBDXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-18(2)15(21)19-8-9-20-13(10-19)16-17-14(20)11-4-6-12(22-3)7-5-11/h4-7H,8-10H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 134793905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).