8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C15H19N5O2 — CID 54383188

IUPAC8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NC(C)C)n3nc(C)nc3c2cc1OC
InChIInChI=1S/C15H19N5O2/c1-8(2)16-15-18-11-7-13(22-5)12(21-4)6-10(11)14-17-9(3)19-20(14)15/h6-8H,1-5H3,(H,16,18)
InChIKeyVBJPCZIZHJJRNE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.42
Rot. Bonds4

About 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 54383188) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID54383188
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NC(C)C)n3nc(C)nc3c2cc1OC
InChIInChI=1S/C15H19N5O2/c1-8(2)16-15-18-11-7-13(22-5)12(21-4)6-10(11)14-17-9(3)19-20(14)15/h6-8H,1-5H3,(H,16,18)
InChIKeyVBJPCZIZHJJRNE-UHFFFAOYSA-N
XLogP2.42
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 54383188) is 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cc2nc(NC(C)C)n3nc(C)nc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is VBJPCZIZHJJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-8(2)16-15-18-11-7-13(22-5)12(21-4)6-10(11)14-17-9(3)19-20(14)15/h6-8H,1-5H3,(H,16,18).
What are the key properties of 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 301.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 54383188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).