N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide

C10H11BrN4 — CID 11521841

IUPACN'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H11BrN4/c1-15(2)6-12-10-8-4-3-7(11)5-9(8)13-14-10/h3-6H,1-2H3,(H,13,14)/b12-6+
InChIKeyKNQNFWRSXJTRJN-WUXMJOGZSA-N
MW267.13 g/mol
LogP2.55
Rot. Bonds2

About N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide

N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 11521841) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide
PubChem CID11521841
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC NameN'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H11BrN4/c1-15(2)6-12-10-8-4-3-7(11)5-9(8)13-14-10/h3-6H,1-2H3,(H,13,14)/b12-6+
InChIKeyKNQNFWRSXJTRJN-WUXMJOGZSA-N
XLogP2.55
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
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 N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide (CID 11521841) is N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1n[nH]c2cc(Br)ccc12.
What is the InChIKey of N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is KNQNFWRSXJTRJN-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15(2)6-12-10-8-4-3-7(11)5-9(8)13-14-10/h3-6H,1-2H3,(H,13,14)/b12-6+.
What are the key properties of N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide?
N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 267.13 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-1H-indazol-3-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 11521841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).