4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide

C13H12N6O — CID 122180346

IUPAC4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide
SMILESCn1cc(-c2cccc3c(N)c(C(N)=O)nnc23)cn1
InChIInChI=1S/C13H12N6O/c1-19-6-7(5-16-19)8-3-2-4-9-10(14)12(13(15)20)18-17-11(8)9/h2-6H,1H3,(H2,14,17)(H2,15,20)
InChIKeyHSXDRRLHDNVHTI-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.71
Rot. Bonds2

About 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide

4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide (PubChem CID 122180346) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide
PubChem CID122180346
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide
SMILESCn1cc(-c2cccc3c(N)c(C(N)=O)nnc23)cn1
InChIInChI=1S/C13H12N6O/c1-19-6-7(5-16-19)8-3-2-4-9-10(14)12(13(15)20)18-17-11(8)9/h2-6H,1H3,(H2,14,17)(H2,15,20)
InChIKeyHSXDRRLHDNVHTI-UHFFFAOYSA-N
XLogP0.71
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide (CID 122180346) is 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide is Cn1cc(-c2cccc3c(N)c(C(N)=O)nnc23)cn1.
What is the InChIKey of 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide?
The InChIKey is HSXDRRLHDNVHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-19-6-7(5-16-19)8-3-2-4-9-10(14)12(13(15)20)18-17-11(8)9/h2-6H,1H3,(H2,14,17)(H2,15,20).
What are the key properties of 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide?
4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 122180346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).