2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide

C14H14N6O — CID 114778064

IUPAC2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cccc3ccncc23)nn1
InChIInChI=1S/C14H14N6O/c15-6-14(21)17-7-11-9-20(19-18-11)13-3-1-2-10-4-5-16-8-12(10)13/h1-5,8-9H,6-7,15H2,(H,17,21)
InChIKeyYKAPIOQTVRIQJC-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.39
Rot. Bonds4

About 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide

2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide (PubChem CID 114778064) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
PubChem CID114778064
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cccc3ccncc23)nn1
InChIInChI=1S/C14H14N6O/c15-6-14(21)17-7-11-9-20(19-18-11)13-3-1-2-10-4-5-16-8-12(10)13/h1-5,8-9H,6-7,15H2,(H,17,21)
InChIKeyYKAPIOQTVRIQJC-UHFFFAOYSA-N
XLogP0.39
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
CID 103481334
N-[(1-isoquinolin-5-yltriazol-4-yl)methyl]propan-2-amine
CID 66205487
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
CID 114778017
2-amino-N-[[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methyl]acetamide
CID 114254952
2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
CID 114778051
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-indol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]acetamide
CID 121197954
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
CID 116641542
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide (CID 114778064) is 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide is NCC(=O)NCc1cn(-c2cccc3ccncc23)nn1.
What is the InChIKey of 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide?
The InChIKey is YKAPIOQTVRIQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-6-14(21)17-7-11-9-20(19-18-11)13-3-1-2-10-4-5-16-8-12(10)13/h1-5,8-9H,6-7,15H2,(H,17,21).
What are the key properties of 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide?
2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide has a molecular weight of 282.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 114778064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).