1-(2-methylpyrimidin-4-yl)indazol-6-amine

C12H11N5 — CID 55113053

IUPAC1-(2-methylpyrimidin-4-yl)indazol-6-amine
SMILESCc1nccc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C12H11N5/c1-8-14-5-4-12(16-8)17-11-6-10(13)3-2-9(11)7-15-17/h2-7H,13H2,1H3
InChIKeyGINGMJACDFUWBZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.71
Rot. Bonds1

About 1-(2-methylpyrimidin-4-yl)indazol-6-amine

1-(2-methylpyrimidin-4-yl)indazol-6-amine (PubChem CID 55113053) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)indazol-6-amine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)indazol-6-amine
PubChem CID55113053
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name1-(2-methylpyrimidin-4-yl)indazol-6-amine
SMILESCc1nccc(-n2ncc3ccc(N)cc32)n1
InChIInChI=1S/C12H11N5/c1-8-14-5-4-12(16-8)17-11-6-10(13)3-2-9(11)7-15-17/h2-7H,13H2,1H3
InChIKeyGINGMJACDFUWBZ-UHFFFAOYSA-N
XLogP1.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)indazol-6-amine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)indazol-6-amine (CID 55113053) is 1-(2-methylpyrimidin-4-yl)indazol-6-amine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)indazol-6-amine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)indazol-6-amine is Cc1nccc(-n2ncc3ccc(N)cc32)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)indazol-6-amine?
The InChIKey is GINGMJACDFUWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-14-5-4-12(16-8)17-11-6-10(13)3-2-9(11)7-15-17/h2-7H,13H2,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)indazol-6-amine?
1-(2-methylpyrimidin-4-yl)indazol-6-amine has a molecular weight of 225.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)indazol-6-amine is sourced from PubChem (CID 55113053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).