N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide

C17H17N7O3 — CID 13381785

IUPACN',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
SMILESCC(=O)N(C(C)=O)N(C(C)=O)c1nnc2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H17N7O3/c1-10-15-16(22(21-10)14-8-6-5-7-9-14)18-17(20-19-15)24(13(4)27)23(11(2)25)12(3)26/h5-9H,1-4H3
InChIKeyDYOVNHYYUCDNFJ-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.18
Rot. Bonds2

About N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide

N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide (PubChem CID 13381785) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide.

Molecular Properties

Compound NameN',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
PubChem CID13381785
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
SMILESCC(=O)N(C(C)=O)N(C(C)=O)c1nnc2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H17N7O3/c1-10-15-16(22(21-10)14-8-6-5-7-9-14)18-17(20-19-15)24(13(4)27)23(11(2)25)12(3)26/h5-9H,1-4H3
InChIKeyDYOVNHYYUCDNFJ-UHFFFAOYSA-N
XLogP1.18
TPSA114.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)sulfanylacetate
CID 13290921
2-[(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)amino]ethanol
CID 13290926
7-methyl-5-phenyl-3-piperidin-1-ylpyrazolo[5,4-e][1,2,4]triazine
CID 13290929
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
[(Z)-(3,5,7-trimethyl-1-phenylpyrazolo[4,5-b][1,4]diazepin-6-ylidene)amino] N-phenylcarbamate
CID 10644671
3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 55148884
13-methyl-15-phenyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155814510
5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 23258932
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
CID 645041
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038

Frequently Asked Questions

What is the IUPAC name of N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide?
The IUPAC name of N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide (CID 13381785) is N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide.
What is the SMILES notation for N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide?
The canonical SMILES for N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide is CC(=O)N(C(C)=O)N(C(C)=O)c1nnc2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide?
The InChIKey is DYOVNHYYUCDNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3/c1-10-15-16(22(21-10)14-8-6-5-7-9-14)18-17(20-19-15)24(13(4)27)23(11(2)25)12(3)26/h5-9H,1-4H3.
What are the key properties of N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide?
N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide has a molecular weight of 367.37 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide is sourced from PubChem (CID 13381785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).