2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one

C15H17N5O2 — CID 86263915

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one
SMILESCc1noc(C)c1Cn1ncn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C15H17N5O2/c1-9-12(10(2)22-18-9)7-19-15(21)14-11-5-3-4-6-13(11)17-20(14)8-16-19/h8H,3-7H2,1-2H3
InChIKeyQOJYFNVKXOUZIC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.42
Rot. Bonds2

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one (PubChem CID 86263915) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one
PubChem CID86263915
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one
SMILESCc1noc(C)c1Cn1ncn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C15H17N5O2/c1-9-12(10(2)22-18-9)7-19-15(21)14-11-5-3-4-6-13(11)17-20(14)8-16-19/h8H,3-7H2,1-2H3
InChIKeyQOJYFNVKXOUZIC-UHFFFAOYSA-N
XLogP1.42
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one (CID 86263915) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one is Cc1noc(C)c1Cn1ncn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one?
The InChIKey is QOJYFNVKXOUZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-12(10(2)22-18-9)7-19-15(21)14-11-5-3-4-6-13(11)17-20(14)8-16-19/h8H,3-7H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one has a molecular weight of 299.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-1-one is sourced from PubChem (CID 86263915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).