2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine

C12H17N3 — CID 105455752

IUPAC2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine
SMILESCC(C)c1[nH]nc2ccc(CCN)cc12
InChIInChI=1S/C12H17N3/c1-8(2)12-10-7-9(5-6-13)3-4-11(10)14-15-12/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyLIJIMQAVNAVQQV-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine

2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine (PubChem CID 105455752) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine
PubChem CID105455752
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine
SMILESCC(C)c1[nH]nc2ccc(CCN)cc12
InChIInChI=1S/C12H17N3/c1-8(2)12-10-7-9(5-6-13)3-4-11(10)14-15-12/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyLIJIMQAVNAVQQV-UHFFFAOYSA-N
XLogP2.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine?
The IUPAC name of 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine (CID 105455752) is 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine is CC(C)c1[nH]nc2ccc(CCN)cc12.
What is the InChIKey of 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine?
The InChIKey is LIJIMQAVNAVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)12-10-7-9(5-6-13)3-4-11(10)14-15-12/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine?
2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine has a molecular weight of 203.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine is sourced from PubChem (CID 105455752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).