1H-indazole

C14H12N4 — CID 53445851

IUPAC1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2/c2*1-2-4-7-6(3-1)5-8-9-7/h2*1-5H,(H,8,9)
InChIKeyBNIFVTPIXGUZCU-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.13
Rot. Bonds

About 1H-indazole

1H-indazole (PubChem CID 53445851) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1H-indazole.

Molecular Properties

Compound Name1H-indazole
PubChem CID53445851
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2/c2*1-2-4-7-6(3-1)5-8-9-7/h2*1-5H,(H,8,9)
InChIKeyBNIFVTPIXGUZCU-UHFFFAOYSA-N
XLogP3.13
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole?
The IUPAC name of 1H-indazole (CID 53445851) is 1H-indazole.
What is the SMILES notation for 1H-indazole?
The canonical SMILES for 1H-indazole is c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole?
The InChIKey is BNIFVTPIXGUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2/c2*1-2-4-7-6(3-1)5-8-9-7/h2*1-5H,(H,8,9).
What are the key properties of 1H-indazole?
1H-indazole has a molecular weight of 236.28 g/mol, XLogP of 3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole is sourced from PubChem (CID 53445851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).