5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine

C16H16N6O — CID 112969505

IUPAC5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nncc(N3c4ccccc4CC3C)n2)no1
InChIInChI=1S/C16H16N6O/c1-10-7-12-5-3-4-6-13(12)22(10)15-9-17-20-16(19-15)18-14-8-11(2)23-21-14/h3-6,8-10H,7H2,1-2H3,(H,18,19,20,21)
InChIKeyIXQJHGVKCWKJQZ-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.99
Rot. Bonds3

About 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine

5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine (PubChem CID 112969505) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
PubChem CID112969505
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2nncc(N3c4ccccc4CC3C)n2)no1
InChIInChI=1S/C16H16N6O/c1-10-7-12-5-3-4-6-13(12)22(10)15-9-17-20-16(19-15)18-14-8-11(2)23-21-14/h3-6,8-10H,7H2,1-2H3,(H,18,19,20,21)
InChIKeyIXQJHGVKCWKJQZ-UHFFFAOYSA-N
XLogP2.99
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112969051
N-(4-tert-butylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112965361
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112964738
4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969500
5-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948181
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazin-3-amine
CID 112968929
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
5-methyl-N-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112955521
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 112927146
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961841

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine (CID 112969505) is 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine is Cc1cc(Nc2nncc(N3c4ccccc4CC3C)n2)no1.
What is the InChIKey of 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine?
The InChIKey is IXQJHGVKCWKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-7-12-5-3-4-6-13(12)22(10)15-9-17-20-16(19-15)18-14-8-11(2)23-21-14/h3-6,8-10H,7H2,1-2H3,(H,18,19,20,21).
What are the key properties of 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine?
5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine has a molecular weight of 308.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 112969505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).