2-[4-(methylaminomethyl)triazol-1-yl]butanamide

C8H15N5O — CID 66214044

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(CNC)nn1
InChIInChI=1S/C8H15N5O/c1-3-7(8(9)14)13-5-6(4-10-2)11-12-13/h5,7,10H,3-4H2,1-2H3,(H2,9,14)
InChIKeyMYIBQGIYJMWIKU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.57
Rot. Bonds5

About 2-[4-(methylaminomethyl)triazol-1-yl]butanamide

2-[4-(methylaminomethyl)triazol-1-yl]butanamide (PubChem CID 66214044) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]butanamide
PubChem CID66214044
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(CNC)nn1
InChIInChI=1S/C8H15N5O/c1-3-7(8(9)14)13-5-6(4-10-2)11-12-13/h5,7,10H,3-4H2,1-2H3,(H2,9,14)
InChIKeyMYIBQGIYJMWIKU-UHFFFAOYSA-N
XLogP-0.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide
CID 66194629
2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
CID 62901797
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66192869
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide
CID 166371186
1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
CID 66214034
1-(1-methoxy-1-oxobutan-2-yl)triazole-4-carboxylic acid
CID 82202502
1-butan-2-yl-4-pent-3-enyltriazole;1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine;methane
CID 163862251
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]butanamide (CID 66214044) is 2-[4-(methylaminomethyl)triazol-1-yl]butanamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]butanamide is CCC(C(N)=O)n1cc(CNC)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
The InChIKey is MYIBQGIYJMWIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-7(8(9)14)13-5-6(4-10-2)11-12-13/h5,7,10H,3-4H2,1-2H3,(H2,9,14).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
2-[4-(methylaminomethyl)triazol-1-yl]butanamide has a molecular weight of 197.24 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]butanamide is sourced from PubChem (CID 66214044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).