8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid

C11H11N5O2 — CID 67076101

IUPAC8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1-c1nc(N)ncc1CC2
InChIInChI=1S/C11H11N5O2/c1-16-9-6(8(15-16)10(17)18)3-2-5-4-13-11(12)14-7(5)9/h4H,2-3H2,1H3,(H,17,18)(H2,12,13,14)
InChIKeyHEQFMGRCMSEISI-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.26
Rot. Bonds1

About 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid

8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid (PubChem CID 67076101) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
PubChem CID67076101
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1-c1nc(N)ncc1CC2
InChIInChI=1S/C11H11N5O2/c1-16-9-6(8(15-16)10(17)18)3-2-5-4-13-11(12)14-7(5)9/h4H,2-3H2,1H3,(H,17,18)(H2,12,13,14)
InChIKeyHEQFMGRCMSEISI-UHFFFAOYSA-N
XLogP0.26
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid?
The IUPAC name of 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid (CID 67076101) is 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid.
What is the SMILES notation for 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid?
The canonical SMILES for 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid is Cn1nc(C(=O)O)c2c1-c1nc(N)ncc1CC2.
What is the InChIKey of 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid?
The InChIKey is HEQFMGRCMSEISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-16-9-6(8(15-16)10(17)18)3-2-5-4-13-11(12)14-7(5)9/h4H,2-3H2,1H3,(H,17,18)(H2,12,13,14).
What are the key properties of 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid?
8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid is sourced from PubChem (CID 67076101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).