5-methyl-1-prop-2-ynylindazol-6-amine

C11H11N3 — CID 177244006

IUPAC5-methyl-1-prop-2-ynylindazol-6-amine
SMILESC#CCn1ncc2cc(C)c(N)cc21
InChIInChI=1S/C11H11N3/c1-3-4-14-11-6-10(12)8(2)5-9(11)7-13-14/h1,5-7H,4,12H2,2H3
InChIKeyFNNZRWUFDQTYLG-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.56
Rot. Bonds1

About 5-methyl-1-prop-2-ynylindazol-6-amine

5-methyl-1-prop-2-ynylindazol-6-amine (PubChem CID 177244006) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-methyl-1-prop-2-ynylindazol-6-amine.

Molecular Properties

Compound Name5-methyl-1-prop-2-ynylindazol-6-amine
PubChem CID177244006
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name5-methyl-1-prop-2-ynylindazol-6-amine
SMILESC#CCn1ncc2cc(C)c(N)cc21
InChIInChI=1S/C11H11N3/c1-3-4-14-11-6-10(12)8(2)5-9(11)7-13-14/h1,5-7H,4,12H2,2H3
InChIKeyFNNZRWUFDQTYLG-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-2-ynylindazol-6-amine?
The IUPAC name of 5-methyl-1-prop-2-ynylindazol-6-amine (CID 177244006) is 5-methyl-1-prop-2-ynylindazol-6-amine.
What is the SMILES notation for 5-methyl-1-prop-2-ynylindazol-6-amine?
The canonical SMILES for 5-methyl-1-prop-2-ynylindazol-6-amine is C#CCn1ncc2cc(C)c(N)cc21.
What is the InChIKey of 5-methyl-1-prop-2-ynylindazol-6-amine?
The InChIKey is FNNZRWUFDQTYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-3-4-14-11-6-10(12)8(2)5-9(11)7-13-14/h1,5-7H,4,12H2,2H3.
What are the key properties of 5-methyl-1-prop-2-ynylindazol-6-amine?
5-methyl-1-prop-2-ynylindazol-6-amine has a molecular weight of 185.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-ynylindazol-6-amine is sourced from PubChem (CID 177244006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).