1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole

C16H14N6 — CID 53245469

IUPAC1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole
SMILESCn1nnc(Cn2nc(-c3ccccc3)c3ccccc32)n1
InChIInChI=1S/C16H14N6/c1-21-18-15(17-20-21)11-22-14-10-6-5-9-13(14)16(19-22)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyCCSOJRANDSXENL-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.28
Rot. Bonds3

About 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole

1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole (PubChem CID 53245469) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole
PubChem CID53245469
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole
SMILESCn1nnc(Cn2nc(-c3ccccc3)c3ccccc32)n1
InChIInChI=1S/C16H14N6/c1-21-18-15(17-20-21)11-22-14-10-6-5-9-13(14)16(19-22)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyCCSOJRANDSXENL-UHFFFAOYSA-N
XLogP2.28
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole (CID 53245469) is 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole is Cn1nnc(Cn2nc(-c3ccccc3)c3ccccc32)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole?
The InChIKey is CCSOJRANDSXENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-21-18-15(17-20-21)11-22-14-10-6-5-9-13(14)16(19-22)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole?
1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole has a molecular weight of 290.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole is sourced from PubChem (CID 53245469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).