1H-indazole;hydrate;hydrochloride

C7H9ClN2O — CID 140981891

IUPAC1H-indazole;hydrate;hydrochloride
SMILESCl.O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.ClH.H2O/c1-2-4-7-6(3-1)5-8-9-7;;/h1-5H,(H,8,9);1H;1H2
InChIKeyHFROUEBEAIBETQ-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.16
Rot. Bonds

About 1H-indazole;hydrate;hydrochloride

1H-indazole;hydrate;hydrochloride (PubChem CID 140981891) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 1H-indazole;hydrate;hydrochloride.

Molecular Properties

Compound Name1H-indazole;hydrate;hydrochloride
PubChem CID140981891
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name1H-indazole;hydrate;hydrochloride
SMILESCl.O.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.ClH.H2O/c1-2-4-7-6(3-1)5-8-9-7;;/h1-5H,(H,8,9);1H;1H2
InChIKeyHFROUEBEAIBETQ-UHFFFAOYSA-N
XLogP1.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole;hydrate;hydrochloride?
The IUPAC name of 1H-indazole;hydrate;hydrochloride (CID 140981891) is 1H-indazole;hydrate;hydrochloride.
What is the SMILES notation for 1H-indazole;hydrate;hydrochloride?
The canonical SMILES for 1H-indazole;hydrate;hydrochloride is Cl.O.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;hydrate;hydrochloride?
The InChIKey is HFROUEBEAIBETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.ClH.H2O/c1-2-4-7-6(3-1)5-8-9-7;;/h1-5H,(H,8,9);1H;1H2.
What are the key properties of 1H-indazole;hydrate;hydrochloride?
1H-indazole;hydrate;hydrochloride has a molecular weight of 172.62 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;hydrate;hydrochloride is sourced from PubChem (CID 140981891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).