3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine

C12H14N6 — CID 44531794

IUPAC3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine
SMILESCC(C)n1ncc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C12H14N6/c1-6(2)18-9-4-3-8-10(7(9)5-15-18)11(13)17-12(14)16-8/h3-6H,1-2H3,(H4,13,14,16,17)
InChIKeyQZSKDMIHANKNJX-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.72
Rot. Bonds1

About 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine

3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine (PubChem CID 44531794) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine.

Molecular Properties

Compound Name3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine
PubChem CID44531794
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine
SMILESCC(C)n1ncc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C12H14N6/c1-6(2)18-9-4-3-8-10(7(9)5-15-18)11(13)17-12(14)16-8/h3-6H,1-2H3,(H4,13,14,16,17)
InChIKeyQZSKDMIHANKNJX-UHFFFAOYSA-N
XLogP1.72
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine?
The IUPAC name of 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine (CID 44531794) is 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine.
What is the SMILES notation for 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine?
The canonical SMILES for 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine is CC(C)n1ncc2c3c(N)nc(N)nc3ccc21.
What is the InChIKey of 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine?
The InChIKey is QZSKDMIHANKNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-6(2)18-9-4-3-8-10(7(9)5-15-18)11(13)17-12(14)16-8/h3-6H,1-2H3,(H4,13,14,16,17).
What are the key properties of 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine?
3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine has a molecular weight of 242.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrazolo[4,5-f]quinazoline-7,9-diamine is sourced from PubChem (CID 44531794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).