amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate

C12H11N7O3 — CID 148771208

IUPACamino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate
SMILESNOC(=O)c1cnc(Nc2ccc3cn[nH]c3c2)nc1ON
InChIInChI=1S/C12H11N7O3/c13-21-10-8(11(20)22-14)5-15-12(18-10)17-7-2-1-6-4-16-19-9(6)3-7/h1-5H,13-14H2,(H,16,19)(H,15,17,18)
InChIKeyOILCHJHNGMITOG-UHFFFAOYSA-N
MW301.27 g/mol
LogP0.38
Rot. Bonds4

About amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate

amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate (PubChem CID 148771208) has the molecular formula C12H11N7O3 and a molecular weight of 301.27 g/mol. Its IUPAC name is amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameamino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate
PubChem CID148771208
Molecular FormulaC12H11N7O3
Molecular Weight301.27 g/mol
Exact Mass301.09
IUPAC Nameamino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate
SMILESNOC(=O)c1cnc(Nc2ccc3cn[nH]c3c2)nc1ON
InChIInChI=1S/C12H11N7O3/c13-21-10-8(11(20)22-14)5-15-12(18-10)17-7-2-1-6-4-16-19-9(6)3-7/h1-5H,13-14H2,(H,16,19)(H,15,17,18)
InChIKeyOILCHJHNGMITOG-UHFFFAOYSA-N
XLogP0.38
TPSA154.06 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677690
2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide
CID 152790325
N-[2-[[5-bromo-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081267
S-[2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]thiohydroxylamine
CID 143015941
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
methyl 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carbonyl]amino]butanoate
CID 10180144
N-(1H-indazol-6-yl)-8-methyl-7-(nitrosomethyl)quinazolin-2-amine
CID 89028132
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 67277592
N-(1H-indazol-6-yl)-6-methyl-8-(pyrrolidin-3-ylmethoxy)quinazolin-2-amine
CID 78210205
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 505746
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
CID 68751546

Frequently Asked Questions

What is the IUPAC name of amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate (CID 148771208) is amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate is NOC(=O)c1cnc(Nc2ccc3cn[nH]c3c2)nc1ON.
What is the InChIKey of amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate?
The InChIKey is OILCHJHNGMITOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O3/c13-21-10-8(11(20)22-14)5-15-12(18-10)17-7-2-1-6-4-16-19-9(6)3-7/h1-5H,13-14H2,(H,16,19)(H,15,17,18).
What are the key properties of amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate?
amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate has a molecular weight of 301.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 148771208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).