4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride

C7H13Cl2N3 — CID 13036532

IUPAC4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride
SMILESCl.Cl.NC1CCc2[nH]ncc2C1
InChIInChI=1S/C7H11N3.2ClH/c8-6-1-2-7-5(3-6)4-9-10-7;;/h4,6H,1-3,8H2,(H,9,10);2*1H
InChIKeyIHDUZMHOIVQJGL-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.07
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride

4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride (PubChem CID 13036532) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride
PubChem CID13036532
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride
SMILESCl.Cl.NC1CCc2[nH]ncc2C1
InChIInChI=1S/C7H11N3.2ClH/c8-6-1-2-7-5(3-6)4-9-10-7;;/h4,6H,1-3,8H2,(H,9,10);2*1H
InChIKeyIHDUZMHOIVQJGL-UHFFFAOYSA-N
XLogP1.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride (CID 13036532) is 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride is Cl.Cl.NC1CCc2[nH]ncc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride?
The InChIKey is IHDUZMHOIVQJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c8-6-1-2-7-5(3-6)4-9-10-7;;/h4,6H,1-3,8H2,(H,9,10);2*1H.
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride?
4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-5-amine;dihydrochloride is sourced from PubChem (CID 13036532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).