2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide

C11H21N5O — CID 66194629

IUPAC2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-5-9(10(12)17)16-7-8(14-15-16)6-13-11(2,3)4/h7,9,13H,5-6H2,1-4H3,(H2,12,17)
InChIKeyNDNXVXZIZNXRCO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.60
Rot. Bonds5

About 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide

2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide (PubChem CID 66194629) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide
PubChem CID66194629
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-5-9(10(12)17)16-7-8(14-15-16)6-13-11(2,3)4/h7,9,13H,5-6H2,1-4H3,(H2,12,17)
InChIKeyNDNXVXZIZNXRCO-UHFFFAOYSA-N
XLogP0.60
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]butanamide
CID 66214044
2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
CID 62901797
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66192869
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191701
1-(1-methoxy-1-oxobutan-2-yl)triazole-4-carboxylic acid
CID 82202502
N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide
CID 160790672

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide (CID 66194629) is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide is CCC(C(N)=O)n1cc(CNC(C)(C)C)nn1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide?
The InChIKey is NDNXVXZIZNXRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-9(10(12)17)16-7-8(14-15-16)6-13-11(2,3)4/h7,9,13H,5-6H2,1-4H3,(H2,12,17).
What are the key properties of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide?
2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide has a molecular weight of 239.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide is sourced from PubChem (CID 66194629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).