2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C11H21N5O — CID 64511690

IUPAC2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c1-4-11(5-2,7-12)10(17)16(3)6-9-13-8-14-15-9/h8H,4-7,12H2,1-3H3,(H,13,14,15)
InChIKeyKMLQIINYPLHBIY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 64511690) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID64511690
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c1-4-11(5-2,7-12)10(17)16(3)6-9-13-8-14-15-9/h8H,4-7,12H2,1-3H3,(H,13,14,15)
InChIKeyKMLQIINYPLHBIY-UHFFFAOYSA-N
XLogP0.53
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279
2-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511307
2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 80556223
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 80545154
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
2-[2-(aminomethyl)phenyl]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 81322774

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 64511690) is 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is CCC(CC)(CN)C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is KMLQIINYPLHBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-11(5-2,7-12)10(17)16(3)6-9-13-8-14-15-9/h8H,4-7,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 239.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 64511690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).