1H-indazol-4-amine;dihydrochloride

C7H9Cl2N3 — CID 18779330

IUPAC1H-indazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cccc2[nH]ncc12
InChIInChI=1S/C7H7N3.2ClH/c8-6-2-1-3-7-5(6)4-9-10-7;;/h1-4H,8H2,(H,9,10);2*1H
InChIKeyWDWMJFWFTRWDOB-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.99
Rot. Bonds

About 1H-indazol-4-amine;dihydrochloride

1H-indazol-4-amine;dihydrochloride (PubChem CID 18779330) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 1H-indazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1H-indazol-4-amine;dihydrochloride
PubChem CID18779330
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name1H-indazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cccc2[nH]ncc12
InChIInChI=1S/C7H7N3.2ClH/c8-6-2-1-3-7-5(6)4-9-10-7;;/h1-4H,8H2,(H,9,10);2*1H
InChIKeyWDWMJFWFTRWDOB-UHFFFAOYSA-N
XLogP1.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-amine;dihydrochloride?
The IUPAC name of 1H-indazol-4-amine;dihydrochloride (CID 18779330) is 1H-indazol-4-amine;dihydrochloride.
What is the SMILES notation for 1H-indazol-4-amine;dihydrochloride?
The canonical SMILES for 1H-indazol-4-amine;dihydrochloride is Cl.Cl.Nc1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-amine;dihydrochloride?
The InChIKey is WDWMJFWFTRWDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2ClH/c8-6-2-1-3-7-5(6)4-9-10-7;;/h1-4H,8H2,(H,9,10);2*1H.
What are the key properties of 1H-indazol-4-amine;dihydrochloride?
1H-indazol-4-amine;dihydrochloride has a molecular weight of 206.08 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-amine;dihydrochloride is sourced from PubChem (CID 18779330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).