3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine

C13H13N7 — CID 68994139

IUPAC3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine
SMILESCc1cc(-c2ncc(Nc3ccccn3)nc2N)n[nH]1
InChIInChI=1S/C13H13N7/c1-8-6-9(20-19-8)12-13(14)18-11(7-16-12)17-10-4-2-3-5-15-10/h2-7H,1H3,(H,19,20)(H3,14,15,17,18)
InChIKeyVUXRAVQMCYMJBW-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.90
Rot. Bonds3

About 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine

3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine (PubChem CID 68994139) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine
PubChem CID68994139
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine
SMILESCc1cc(-c2ncc(Nc3ccccn3)nc2N)n[nH]1
InChIInChI=1S/C13H13N7/c1-8-6-9(20-19-8)12-13(14)18-11(7-16-12)17-10-4-2-3-5-15-10/h2-7H,1H3,(H,19,20)(H3,14,15,17,18)
InChIKeyVUXRAVQMCYMJBW-UHFFFAOYSA-N
XLogP1.90
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine (CID 68994139) is 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine is Cc1cc(-c2ncc(Nc3ccccn3)nc2N)n[nH]1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine?
The InChIKey is VUXRAVQMCYMJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-8-6-9(20-19-8)12-13(14)18-11(7-16-12)17-10-4-2-3-5-15-10/h2-7H,1H3,(H,19,20)(H3,14,15,17,18).
What are the key properties of 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine?
3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine has a molecular weight of 267.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-2-ylpyrazine-2,6-diamine is sourced from PubChem (CID 68994139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).