2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine

C11H15N5 — CID 102803615

IUPAC2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(Nc2cn(C)nc2C)c(N)c1
InChIInChI=1S/C11H15N5/c1-7-4-9(12)11(13-5-7)14-10-6-16(3)15-8(10)2/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyAWWWERNYCYTFFA-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.76
Rot. Bonds2

About 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine

2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine (PubChem CID 102803615) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine
PubChem CID102803615
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(Nc2cn(C)nc2C)c(N)c1
InChIInChI=1S/C11H15N5/c1-7-4-9(12)11(13-5-7)14-10-6-16(3)15-8(10)2/h4-6H,12H2,1-3H3,(H,13,14)
InChIKeyAWWWERNYCYTFFA-UHFFFAOYSA-N
XLogP1.76
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine (CID 102803615) is 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine is Cc1cnc(Nc2cn(C)nc2C)c(N)c1.
What is the InChIKey of 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine?
The InChIKey is AWWWERNYCYTFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-4-9(12)11(13-5-7)14-10-6-16(3)15-8(10)2/h4-6H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine?
2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 102803615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).