5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine

C19H18N6 — CID 25165086

IUPAC5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12
InChIInChI=1S/C19H18N6/c20-19-15-10-14(8-9-16(15)21-23-19)17-18(13-6-7-13)25(24-22-17)11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H3,20,21,23)
InChIKeyUOOFSEUSROQBBP-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.33
Rot. Bonds4

About 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine

5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine (PubChem CID 25165086) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine
PubChem CID25165086
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12
InChIInChI=1S/C19H18N6/c20-19-15-10-14(8-9-16(15)21-23-19)17-18(13-6-7-13)25(24-22-17)11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H3,20,21,23)
InChIKeyUOOFSEUSROQBBP-UHFFFAOYSA-N
XLogP3.33
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine?
The IUPAC name of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine (CID 25165086) is 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12.
What is the InChIKey of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine?
The InChIKey is UOOFSEUSROQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-19-15-10-14(8-9-16(15)21-23-19)17-18(13-6-7-13)25(24-22-17)11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H3,20,21,23).
What are the key properties of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine?
5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine has a molecular weight of 330.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 25165086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).