5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate

C24H28N6O2 — CID 174599694

IUPAC5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate
SMILESCC(C)(C)OC=O.Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12
InChIInChI=1S/C19H18N6.C5H10O2/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;1-5(2,3)7-4-6/h1-5,8-10,13H,6-7,11H2,(H3,20,21,23);4H,1-3H3
InChIKeyYNYBCSNPQJNMPC-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.29
Rot. Bonds5

About 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate

5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate (PubChem CID 174599694) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate.

Molecular Properties

Compound Name5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate
PubChem CID174599694
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate
SMILESCC(C)(C)OC=O.Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12
InChIInChI=1S/C19H18N6.C5H10O2/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;1-5(2,3)7-4-6/h1-5,8-10,13H,6-7,11H2,(H3,20,21,23);4H,1-3H3
InChIKeyYNYBCSNPQJNMPC-UHFFFAOYSA-N
XLogP4.29
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate?
The IUPAC name of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate (CID 174599694) is 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate.
What is the SMILES notation for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate?
The canonical SMILES for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate is CC(C)(C)OC=O.Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12.
What is the InChIKey of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate?
The InChIKey is YNYBCSNPQJNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.C5H10O2/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;1-5(2,3)7-4-6/h1-5,8-10,13H,6-7,11H2,(H3,20,21,23);4H,1-3H3.
What are the key properties of 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate?
5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate has a molecular weight of 432.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-amine;tert-butyl formate is sourced from PubChem (CID 174599694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).