1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide

C13H14N6OS — CID 57389556

IUPAC1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCSc1ncc2ccc3c(C(N)=O)nn(CCN)c3c2n1
InChIInChI=1S/C13H14N6OS/c1-21-13-16-6-7-2-3-8-10(12(15)20)18-19(5-4-14)11(8)9(7)17-13/h2-3,6H,4-5,14H2,1H3,(H2,15,20)
InChIKeyWTATXACZNSHVCC-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.76
Rot. Bonds4

About 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide

1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 57389556) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID57389556
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCSc1ncc2ccc3c(C(N)=O)nn(CCN)c3c2n1
InChIInChI=1S/C13H14N6OS/c1-21-13-16-6-7-2-3-8-10(12(15)20)18-19(5-4-14)11(8)9(7)17-13/h2-3,6H,4-5,14H2,1H3,(H2,15,20)
InChIKeyWTATXACZNSHVCC-UHFFFAOYSA-N
XLogP0.76
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide (CID 57389556) is 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide is CSc1ncc2ccc3c(C(N)=O)nn(CCN)c3c2n1.
What is the InChIKey of 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is WTATXACZNSHVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-21-13-16-6-7-2-3-8-10(12(15)20)18-19(5-4-14)11(8)9(7)17-13/h2-3,6H,4-5,14H2,1H3,(H2,15,20).
What are the key properties of 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide?
1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 57389556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).