1-(3-ethyltriazol-4-yl)indazol-6-amine

C11H12N6 — CID 114223179

IUPAC1-(3-ethyltriazol-4-yl)indazol-6-amine
SMILESCCn1nncc1-n1ncc2ccc(N)cc21
InChIInChI=1S/C11H12N6/c1-2-16-11(7-13-15-16)17-10-5-9(12)4-3-8(10)6-14-17/h3-7H,2,12H2,1H3
InChIKeyVCUJDVAPNCKQDK-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-ethyltriazol-4-yl)indazol-6-amine

1-(3-ethyltriazol-4-yl)indazol-6-amine (PubChem CID 114223179) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)indazol-6-amine.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)indazol-6-amine
PubChem CID114223179
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-(3-ethyltriazol-4-yl)indazol-6-amine
SMILESCCn1nncc1-n1ncc2ccc(N)cc21
InChIInChI=1S/C11H12N6/c1-2-16-11(7-13-15-16)17-10-5-9(12)4-3-8(10)6-14-17/h3-7H,2,12H2,1H3
InChIKeyVCUJDVAPNCKQDK-UHFFFAOYSA-N
XLogP1.22
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-ethyltriazol-4-yl)indazol-6-amine?
The IUPAC name of 1-(3-ethyltriazol-4-yl)indazol-6-amine (CID 114223179) is 1-(3-ethyltriazol-4-yl)indazol-6-amine.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)indazol-6-amine?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)indazol-6-amine is CCn1nncc1-n1ncc2ccc(N)cc21.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)indazol-6-amine?
The InChIKey is VCUJDVAPNCKQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-2-16-11(7-13-15-16)17-10-5-9(12)4-3-8(10)6-14-17/h3-7H,2,12H2,1H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)indazol-6-amine?
1-(3-ethyltriazol-4-yl)indazol-6-amine has a molecular weight of 228.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)indazol-6-amine is sourced from PubChem (CID 114223179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).