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

C11H12N6O — CID 45140384

IUPAC8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(N)ncc1CC2
InChIInChI=1S/C11H12N6O/c1-17-9-6(8(16-17)10(12)18)3-2-5-4-14-11(13)15-7(5)9/h4H,2-3H2,1H3,(H2,12,18)(H2,13,14,15)
InChIKeyXOSBKKVDFISERP-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.34
Rot. Bonds1

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

8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45140384) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45140384
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(N)ncc1CC2
InChIInChI=1S/C11H12N6O/c1-17-9-6(8(16-17)10(12)18)3-2-5-4-14-11(13)15-7(5)9/h4H,2-3H2,1H3,(H2,12,18)(H2,13,14,15)
InChIKeyXOSBKKVDFISERP-UHFFFAOYSA-N
XLogP-0.34
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.34
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-carboxamide?
The IUPAC name of 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45140384) is 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(N)=O)c2c1-c1nc(N)ncc1CC2.
What is the InChIKey of 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is XOSBKKVDFISERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-17-9-6(8(16-17)10(12)18)3-2-5-4-14-11(13)15-7(5)9/h4H,2-3H2,1H3,(H2,12,18)(H2,13,14,15).
What are the key properties of 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 244.26 g/mol, XLogP of -0.34, 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-carboxamide is sourced from PubChem (CID 45140384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).