3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile

C19H15N7 — CID 137430191

IUPAC3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(N)c(C#N)nc2-c2cc(C)c3ncccc3c2)n1
InChIInChI=1S/C19H15N7/c1-11-8-14(9-13-4-3-6-22-16(11)13)17-19(26-7-5-12(2)25-26)24-18(21)15(10-20)23-17/h3-9H,1-2H3,(H2,21,24)
InChIKeyIWKIFRGRRZJDIX-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.95
Rot. Bonds2

About 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile

3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile (PubChem CID 137430191) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile
PubChem CID137430191
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(N)c(C#N)nc2-c2cc(C)c3ncccc3c2)n1
InChIInChI=1S/C19H15N7/c1-11-8-14(9-13-4-3-6-22-16(11)13)17-19(26-7-5-12(2)25-26)24-18(21)15(10-20)23-17/h3-9H,1-2H3,(H2,21,24)
InChIKeyIWKIFRGRRZJDIX-UHFFFAOYSA-N
XLogP2.95
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile (CID 137430191) is 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile is Cc1ccn(-c2nc(N)c(C#N)nc2-c2cc(C)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile?
The InChIKey is IWKIFRGRRZJDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-11-8-14(9-13-4-3-6-22-16(11)13)17-19(26-7-5-12(2)25-26)24-18(21)15(10-20)23-17/h3-9H,1-2H3,(H2,21,24).
What are the key properties of 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile?
3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile has a molecular weight of 341.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).