2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide

C17H13N9O2S — CID 11632859

IUPAC2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nnc2cnc(Nc3ccc4[nH]ncc4c3)nc21
InChIInChI=1S/C17H13N9O2S/c18-29(27,28)15-4-2-1-3-14(15)26-16-13(24-25-26)9-19-17(22-16)21-11-5-6-12-10(7-11)8-20-23-12/h1-9H,(H,20,23)(H2,18,27,28)(H,19,21,22)
InChIKeyDMUAJBLTOMYLRV-UHFFFAOYSA-N
MW407.42 g/mol
LogP1.48
Rot. Bonds4

About 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide

2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide (PubChem CID 11632859) has the molecular formula C17H13N9O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide
PubChem CID11632859
Molecular FormulaC17H13N9O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nnc2cnc(Nc3ccc4[nH]ncc4c3)nc21
InChIInChI=1S/C17H13N9O2S/c18-29(27,28)15-4-2-1-3-14(15)26-16-13(24-25-26)9-19-17(22-16)21-11-5-6-12-10(7-11)8-20-23-12/h1-9H,(H,20,23)(H2,18,27,28)(H,19,21,22)
InChIKeyDMUAJBLTOMYLRV-UHFFFAOYSA-N
XLogP1.48
TPSA157.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide 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

8-cyclopentyl-2-(1H-indazol-5-ylamino)pteridin-7-one
CID 163633208
3-[[3-(3,4,5-trimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzenesulfonamide
CID 11662521
disodium;2-(1H-indazol-5-ylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677690
trans-(1R,3R)-3-[[3-(1H-indazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 86279381
1H-indazole-5-sulfonamide
CID 22567171
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101530
3-(3-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 58691441
3-N-[3-(3,5-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]benzene-1,3-diamine
CID 70338594
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 44562903

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide (CID 11632859) is 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nnc2cnc(Nc3ccc4[nH]ncc4c3)nc21.
What is the InChIKey of 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide?
The InChIKey is DMUAJBLTOMYLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N9O2S/c18-29(27,28)15-4-2-1-3-14(15)26-16-13(24-25-26)9-19-17(22-16)21-11-5-6-12-10(7-11)8-20-23-12/h1-9H,(H,20,23)(H2,18,27,28)(H,19,21,22).
What are the key properties of 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide?
2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide has a molecular weight of 407.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indazol-5-ylamino)triazolo[4,5-d]pyrimidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 11632859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).