2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide

C19H19N7O — CID 68736979

IUPAC2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIInChI=1S/C19H19N7O/c1-25(12-18(20)27)19-15-9-14(7-8-16(15)21-23-19)17-11-26(24-22-17)10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H2,20,27)(H,21,23)
InChIKeyHIBHGOGHKJKAIT-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.79
Rot. Bonds6

About 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide

2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide (PubChem CID 68736979) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide
PubChem CID68736979
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIInChI=1S/C19H19N7O/c1-25(12-18(20)27)19-15-9-14(7-8-16(15)21-23-19)17-11-26(24-22-17)10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H2,20,27)(H,21,23)
InChIKeyHIBHGOGHKJKAIT-UHFFFAOYSA-N
XLogP1.79
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide?
The IUPAC name of 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide (CID 68736979) is 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide is CN(CC(N)=O)c1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12.
What is the InChIKey of 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide?
The InChIKey is HIBHGOGHKJKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-25(12-18(20)27)19-15-9-14(7-8-16(15)21-23-19)17-11-26(24-22-17)10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H2,20,27)(H,21,23).
What are the key properties of 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide?
2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide has a molecular weight of 361.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-methylamino]acetamide is sourced from PubChem (CID 68736979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).