5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid

C10H11N7O2 — CID 168602987

IUPAC5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid
SMILESNC(N)=N/C(N)=N/c1cc(C(=O)O)c2[nH]ncc2c1
InChIInChI=1S/C10H11N7O2/c11-9(12)16-10(13)15-5-1-4-3-14-17-7(4)6(2-5)8(18)19/h1-3H,(H,14,17)(H,18,19)(H6,11,12,13,15,16)
InChIKeyKDTVSCHHBPVKTF-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.52
Rot. Bonds2

About 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid

5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid (PubChem CID 168602987) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid
PubChem CID168602987
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid
SMILESNC(N)=N/C(N)=N/c1cc(C(=O)O)c2[nH]ncc2c1
InChIInChI=1S/C10H11N7O2/c11-9(12)16-10(13)15-5-1-4-3-14-17-7(4)6(2-5)8(18)19/h1-3H,(H,14,17)(H,18,19)(H6,11,12,13,15,16)
InChIKeyKDTVSCHHBPVKTF-UHFFFAOYSA-N
XLogP-0.52
TPSA168.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1H-indazole-7-carboxylic acid
CID 76846417
5-bromo-1H-pyrazolo[4,5-b]pyridine-7-carboxylic acid
CID 131538217
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazole-7-carboxylic acid
CID 59023793
3-[[amino-(diaminomethylideneamino)methylidene]amino]-5-methylsulfonylbenzoic acid
CID 168603146
2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine
CID 168603889
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chlorobenzoic acid
CID 168605986
1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 162334687
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-3H-benzimidazole-5-carboxylic acid
CID 168602752
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
5-hydroxy-1H-indazole-6-carboxylic acid
CID 76846394
6-hydroxy-1H-indazole-5-carboxylic acid
CID 135742459
bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene
CID 70011806

Frequently Asked Questions

What is the IUPAC name of 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid?
The IUPAC name of 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid (CID 168602987) is 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid.
What is the SMILES notation for 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid?
The canonical SMILES for 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid is NC(N)=N/C(N)=N/c1cc(C(=O)O)c2[nH]ncc2c1.
What is the InChIKey of 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid?
The InChIKey is KDTVSCHHBPVKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c11-9(12)16-10(13)15-5-1-4-3-14-17-7(4)6(2-5)8(18)19/h1-3H,(H,14,17)(H,18,19)(H6,11,12,13,15,16).
What are the key properties of 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid?
5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of -0.52, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[amino-(diaminomethylideneamino)methylidene]amino]-1H-indazole-7-carboxylic acid is sourced from PubChem (CID 168602987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).