6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine

C16H13N7 — CID 137431412

IUPAC6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine
SMILESCn1ccc(-c2nc(N)cnc2-c2ccc3ncncc3c2)n1
InChIInChI=1S/C16H13N7/c1-23-5-4-13(22-23)16-15(19-8-14(17)21-16)10-2-3-12-11(6-10)7-18-9-20-12/h2-9H,1H3,(H2,17,21)
InChIKeyKJZVZDUDBGZQKJ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.07
Rot. Bonds2

About 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine

6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine (PubChem CID 137431412) has the molecular formula C16H13N7 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine
PubChem CID137431412
Molecular FormulaC16H13N7
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine
SMILESCn1ccc(-c2nc(N)cnc2-c2ccc3ncncc3c2)n1
InChIInChI=1S/C16H13N7/c1-23-5-4-13(22-23)16-15(19-8-14(17)21-16)10-2-3-12-11(6-10)7-18-9-20-12/h2-9H,1H3,(H2,17,21)
InChIKeyKJZVZDUDBGZQKJ-UHFFFAOYSA-N
XLogP2.07
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine?
The IUPAC name of 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine (CID 137431412) is 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine is Cn1ccc(-c2nc(N)cnc2-c2ccc3ncncc3c2)n1.
What is the InChIKey of 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine?
The InChIKey is KJZVZDUDBGZQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7/c1-23-5-4-13(22-23)16-15(19-8-14(17)21-16)10-2-3-12-11(6-10)7-18-9-20-12/h2-9H,1H3,(H2,17,21).
What are the key properties of 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine?
6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-3-yl)-5-quinazolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 137431412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).