1-(1H-1,2,4-triazol-5-yl)indazole

C9H7N5 — CID 21092563

IUPAC1-(1H-1,2,4-triazol-5-yl)indazole
SMILESc1ccc2c(c1)cnn2-c1ncn[nH]1
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-12-14(8)9-10-6-11-13-9/h1-6H,(H,10,11,13)
InChIKeySLHWYZFYBINJEN-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.14
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)indazole

1-(1H-1,2,4-triazol-5-yl)indazole (PubChem CID 21092563) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)indazole.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)indazole
PubChem CID21092563
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name1-(1H-1,2,4-triazol-5-yl)indazole
SMILESc1ccc2c(c1)cnn2-c1ncn[nH]1
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-12-14(8)9-10-6-11-13-9/h1-6H,(H,10,11,13)
InChIKeySLHWYZFYBINJEN-UHFFFAOYSA-N
XLogP1.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-1,2,4-triazol-5-yl)indole
CID 167408371
1-pyrazin-2-ylindazole
CID 90241496
1-naphthalen-2-ylindazole
CID 134338014
1-(2-chloropyrimidin-4-yl)indazole
CID 62343876
CID 119080865
CID 119080865
2-indazol-1-ylpyrimidine-4,6-diamine
CID 90303723
1-(4-methyl-2-pyridinyl)indazole
CID 58206221
1-(1-methylpyrazol-4-yl)indazole
CID 154050163
1,5-bis(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 67837598
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)indazole
CID 154224405
6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
CID 80857559
N-ethyl-6-indazol-1-yl-5-propylpyrimidin-4-amine
CID 80841529

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)indazole?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)indazole (CID 21092563) is 1-(1H-1,2,4-triazol-5-yl)indazole.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)indazole?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)indazole is c1ccc2c(c1)cnn2-c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)indazole?
The InChIKey is SLHWYZFYBINJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-12-14(8)9-10-6-11-13-9/h1-6H,(H,10,11,13).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)indazole?
1-(1H-1,2,4-triazol-5-yl)indazole has a molecular weight of 185.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)indazole is sourced from PubChem (CID 21092563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).