3-propan-2-yl-2H-indazol-4-amine

C10H13N3 — CID 105436209

IUPAC3-propan-2-yl-2H-indazol-4-amine
SMILESCC(C)c1[nH]nc2cccc(N)c12
InChIInChI=1S/C10H13N3/c1-6(2)10-9-7(11)4-3-5-8(9)12-13-10/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyIMIAVLWFWAQYAE-UHFFFAOYSA-N
MW175.24 g/mol
LogP2.27
Rot. Bonds1

About 3-propan-2-yl-2H-indazol-4-amine

3-propan-2-yl-2H-indazol-4-amine (PubChem CID 105436209) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 3-propan-2-yl-2H-indazol-4-amine.

Molecular Properties

Compound Name3-propan-2-yl-2H-indazol-4-amine
PubChem CID105436209
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name3-propan-2-yl-2H-indazol-4-amine
SMILESCC(C)c1[nH]nc2cccc(N)c12
InChIInChI=1S/C10H13N3/c1-6(2)10-9-7(11)4-3-5-8(9)12-13-10/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyIMIAVLWFWAQYAE-UHFFFAOYSA-N
XLogP2.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2H-indazol-4-amine?
The IUPAC name of 3-propan-2-yl-2H-indazol-4-amine (CID 105436209) is 3-propan-2-yl-2H-indazol-4-amine.
What is the SMILES notation for 3-propan-2-yl-2H-indazol-4-amine?
The canonical SMILES for 3-propan-2-yl-2H-indazol-4-amine is CC(C)c1[nH]nc2cccc(N)c12.
What is the InChIKey of 3-propan-2-yl-2H-indazol-4-amine?
The InChIKey is IMIAVLWFWAQYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6(2)10-9-7(11)4-3-5-8(9)12-13-10/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-yl-2H-indazol-4-amine?
3-propan-2-yl-2H-indazol-4-amine has a molecular weight of 175.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2H-indazol-4-amine is sourced from PubChem (CID 105436209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).