(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone

C15H15N5O2 — CID 66499320

IUPAC(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone
SMILESCCc1nc2nnc(C(=O)c3ccccc3OC)c(C)n2n1
InChIInChI=1S/C15H15N5O2/c1-4-12-16-15-18-17-13(9(2)20(15)19-12)14(21)10-7-5-6-8-11(10)22-3/h5-8H,4H2,1-3H3
InChIKeyGXKHIFFYKDCAGA-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.63
Rot. Bonds4

About (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone

(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone (PubChem CID 66499320) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone
PubChem CID66499320
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone
SMILESCCc1nc2nnc(C(=O)c3ccccc3OC)c(C)n2n1
InChIInChI=1S/C15H15N5O2/c1-4-12-16-15-18-17-13(9(2)20(15)19-12)14(21)10-7-5-6-8-11(10)22-3/h5-8H,4H2,1-3H3
InChIKeyGXKHIFFYKDCAGA-UHFFFAOYSA-N
XLogP1.63
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 66499445
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
N-(4-chlorophenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-methoxybenzamide
CID 50749028
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
acetaldehyde;(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone
CID 143415038
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035686
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
CID 711826
4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one
CID 12988741
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
ethyl 4-amino-7-ethyl-8-(2-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17190398

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone (CID 66499320) is (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone is CCc1nc2nnc(C(=O)c3ccccc3OC)c(C)n2n1.
What is the InChIKey of (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone?
The InChIKey is GXKHIFFYKDCAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-4-12-16-15-18-17-13(9(2)20(15)19-12)14(21)10-7-5-6-8-11(10)22-3/h5-8H,4H2,1-3H3.
What are the key properties of (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone?
(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone has a molecular weight of 297.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 66499320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).