2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine

C9H10BrN7 — CID 168603889

IUPAC2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(Br)c2cn[nH]c12
InChIInChI=1S/C9H10BrN7/c10-5-1-2-6(7-4(5)3-14-17-7)15-9(13)16-8(11)12/h1-3H,(H,14,17)(H6,11,12,13,15,16)
InChIKeyKZTYYHCHLMZYGO-UHFFFAOYSA-N
MW296.13 g/mol
LogP0.55
Rot. Bonds1

About 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine

2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine (PubChem CID 168603889) has the molecular formula C9H10BrN7 and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine
PubChem CID168603889
Molecular FormulaC9H10BrN7
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC Name2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(Br)c2cn[nH]c12
InChIInChI=1S/C9H10BrN7/c10-5-1-2-6(7-4(5)3-14-17-7)15-9(13)16-8(11)12/h1-3H,(H,14,17)(H6,11,12,13,15,16)
InChIKeyKZTYYHCHLMZYGO-UHFFFAOYSA-N
XLogP0.55
TPSA131.46 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine (CID 168603889) is 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/c1ccc(Br)c2cn[nH]c12.
What is the InChIKey of 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine?
The InChIKey is KZTYYHCHLMZYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN7/c10-5-1-2-6(7-4(5)3-14-17-7)15-9(13)16-8(11)12/h1-3H,(H,14,17)(H6,11,12,13,15,16).
What are the key properties of 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine?
2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine has a molecular weight of 296.13 g/mol, XLogP of 0.55, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-indazol-7-yl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168603889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).