6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide

C16H18N6O — CID 166310595

IUPAC6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1c(C(=O)NC2CC(C)n3ncnc32)c(C)n2ccncc12
InChIInChI=1S/C16H18N6O/c1-9-6-12(15-18-8-19-22(9)15)20-16(23)14-10(2)13-7-17-4-5-21(13)11(14)3/h4-5,7-9,12H,6H2,1-3H3,(H,20,23)
InChIKeyNTGHDERUCGRMNA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.98
Rot. Bonds2

About 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide

6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 166310595) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID166310595
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1c(C(=O)NC2CC(C)n3ncnc32)c(C)n2ccncc12
InChIInChI=1S/C16H18N6O/c1-9-6-12(15-18-8-19-22(9)15)20-16(23)14-10(2)13-7-17-4-5-21(13)11(14)3/h4-5,7-9,12H,6H2,1-3H3,(H,20,23)
InChIKeyNTGHDERUCGRMNA-UHFFFAOYSA-N
XLogP1.98
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 166310595) is 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide is Cc1c(C(=O)NC2CC(C)n3ncnc32)c(C)n2ccncc12.
What is the InChIKey of 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is NTGHDERUCGRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9-6-12(15-18-8-19-22(9)15)20-16(23)14-10(2)13-7-17-4-5-21(13)11(14)3/h4-5,7-9,12H,6H2,1-3H3,(H,20,23).
What are the key properties of 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide?
6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 166310595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).