molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole

C12H16N2 — CID 143443392

IUPACmolecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole
SMILESCCC/C=C/c1ccc2cn[nH]c2c1.[H][H]
InChIInChI=1S/C12H14N2.H2/c1-2-3-4-5-10-6-7-11-9-13-14-12(11)8-10;/h4-9H,2-3H2,1H3,(H,13,14);1H/b5-4+;
InChIKeyYPENOIOXYUJHRB-FXRZFVDSSA-N
MW188.27 g/mol
LogP3.62
Rot. Bonds3

About molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole

molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole (PubChem CID 143443392) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole.

Molecular Properties

Compound Namemolecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole
PubChem CID143443392
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namemolecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole
SMILESCCC/C=C/c1ccc2cn[nH]c2c1.[H][H]
InChIInChI=1S/C12H14N2.H2/c1-2-3-4-5-10-6-7-11-9-13-14-12(11)8-10;/h4-9H,2-3H2,1H3,(H,13,14);1H/b5-4+;
InChIKeyYPENOIOXYUJHRB-FXRZFVDSSA-N
XLogP3.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole?
The IUPAC name of molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole (CID 143443392) is molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole.
What is the SMILES notation for molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole?
The canonical SMILES for molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole is CCC/C=C/c1ccc2cn[nH]c2c1.[H][H].
What is the InChIKey of molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole?
The InChIKey is YPENOIOXYUJHRB-FXRZFVDSSA-N. The full InChI is InChI=1S/C12H14N2.H2/c1-2-3-4-5-10-6-7-11-9-13-14-12(11)8-10;/h4-9H,2-3H2,1H3,(H,13,14);1H/b5-4+;.
What are the key properties of molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole?
molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole is sourced from PubChem (CID 143443392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).