6-N,5-dimethyl-1H-indazole-3,6-diamine

C9H12N4 — CID 101200364

IUPAC6-N,5-dimethyl-1H-indazole-3,6-diamine
SMILESCNc1cc2[nH]nc(N)c2cc1C
InChIInChI=1S/C9H12N4/c1-5-3-6-8(4-7(5)11-2)12-13-9(6)10/h3-4,11H,1-2H3,(H3,10,12,13)
InChIKeyOZJODQBMSJSLKJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.50
Rot. Bonds1

About 6-N,5-dimethyl-1H-indazole-3,6-diamine

6-N,5-dimethyl-1H-indazole-3,6-diamine (PubChem CID 101200364) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-N,5-dimethyl-1H-indazole-3,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-1H-indazole-3,6-diamine
PubChem CID101200364
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-N,5-dimethyl-1H-indazole-3,6-diamine
SMILESCNc1cc2[nH]nc(N)c2cc1C
InChIInChI=1S/C9H12N4/c1-5-3-6-8(4-7(5)11-2)12-13-9(6)10/h3-4,11H,1-2H3,(H3,10,12,13)
InChIKeyOZJODQBMSJSLKJ-UHFFFAOYSA-N
XLogP1.50
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-1H-indazole-3,6-diamine?
The IUPAC name of 6-N,5-dimethyl-1H-indazole-3,6-diamine (CID 101200364) is 6-N,5-dimethyl-1H-indazole-3,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-1H-indazole-3,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-1H-indazole-3,6-diamine is CNc1cc2[nH]nc(N)c2cc1C.
What is the InChIKey of 6-N,5-dimethyl-1H-indazole-3,6-diamine?
The InChIKey is OZJODQBMSJSLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-5-3-6-8(4-7(5)11-2)12-13-9(6)10/h3-4,11H,1-2H3,(H3,10,12,13).
What are the key properties of 6-N,5-dimethyl-1H-indazole-3,6-diamine?
6-N,5-dimethyl-1H-indazole-3,6-diamine has a molecular weight of 176.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-1H-indazole-3,6-diamine is sourced from PubChem (CID 101200364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).