5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one

C13H13N5O — CID 82482219

IUPAC5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cnnc(N)n3)cc21
InChIInChI=1S/C13H13N5O/c1-13(2)8-5-7(3-4-9(8)16-11(13)19)10-6-15-18-12(14)17-10/h3-6H,1-2H3,(H,16,19)(H2,14,17,18)
InChIKeyFMPFTPUYDOWSRS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.35
Rot. Bonds1

About 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one

5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82482219) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82482219
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cnnc(N)n3)cc21
InChIInChI=1S/C13H13N5O/c1-13(2)8-5-7(3-4-9(8)16-11(13)19)10-6-15-18-12(14)17-10/h3-6H,1-2H3,(H,16,19)(H2,14,17,18)
InChIKeyFMPFTPUYDOWSRS-UHFFFAOYSA-N
XLogP1.35
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one (CID 82482219) is 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(-c3cnnc(N)n3)cc21.
What is the InChIKey of 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is FMPFTPUYDOWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-13(2)8-5-7(3-4-9(8)16-11(13)19)10-6-15-18-12(14)17-10/h3-6H,1-2H3,(H,16,19)(H2,14,17,18).
What are the key properties of 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one?
5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82482219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).