2-propan-2-yl-3H-indazole-1,6-diamine

C10H16N4 — CID 69254026

IUPAC2-propan-2-yl-3H-indazole-1,6-diamine
SMILESCC(C)N1Cc2ccc(N)cc2N1N
InChIInChI=1S/C10H16N4/c1-7(2)13-6-8-3-4-9(11)5-10(8)14(13)12/h3-5,7H,6,11-12H2,1-2H3
InChIKeyQFFLFPWLVLTDGZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.09
Rot. Bonds1

About 2-propan-2-yl-3H-indazole-1,6-diamine

2-propan-2-yl-3H-indazole-1,6-diamine (PubChem CID 69254026) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-propan-2-yl-3H-indazole-1,6-diamine.

Molecular Properties

Compound Name2-propan-2-yl-3H-indazole-1,6-diamine
PubChem CID69254026
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-propan-2-yl-3H-indazole-1,6-diamine
SMILESCC(C)N1Cc2ccc(N)cc2N1N
InChIInChI=1S/C10H16N4/c1-7(2)13-6-8-3-4-9(11)5-10(8)14(13)12/h3-5,7H,6,11-12H2,1-2H3
InChIKeyQFFLFPWLVLTDGZ-UHFFFAOYSA-N
XLogP1.09
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3H-indazole-1,6-diamine?
The IUPAC name of 2-propan-2-yl-3H-indazole-1,6-diamine (CID 69254026) is 2-propan-2-yl-3H-indazole-1,6-diamine.
What is the SMILES notation for 2-propan-2-yl-3H-indazole-1,6-diamine?
The canonical SMILES for 2-propan-2-yl-3H-indazole-1,6-diamine is CC(C)N1Cc2ccc(N)cc2N1N.
What is the InChIKey of 2-propan-2-yl-3H-indazole-1,6-diamine?
The InChIKey is QFFLFPWLVLTDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7(2)13-6-8-3-4-9(11)5-10(8)14(13)12/h3-5,7H,6,11-12H2,1-2H3.
What are the key properties of 2-propan-2-yl-3H-indazole-1,6-diamine?
2-propan-2-yl-3H-indazole-1,6-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3H-indazole-1,6-diamine is sourced from PubChem (CID 69254026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).