4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide

C10H19N5O — CID 106302459

IUPAC4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
SMILESCCn1cnnc1CNC(=O)C(C)CCN
InChIInChI=1S/C10H19N5O/c1-3-15-7-13-14-9(15)6-12-10(16)8(2)4-5-11/h7-8H,3-6,11H2,1-2H3,(H,12,16)
InChIKeyVKPUNBKJXMQVLJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.10
Rot. Bonds6

About 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide

4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide (PubChem CID 106302459) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
PubChem CID106302459
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
SMILESCCn1cnnc1CNC(=O)C(C)CCN
InChIInChI=1S/C10H19N5O/c1-3-15-7-13-14-9(15)6-12-10(16)8(2)4-5-11/h7-8H,3-6,11H2,1-2H3,(H,12,16)
InChIKeyVKPUNBKJXMQVLJ-UHFFFAOYSA-N
XLogP-0.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide
CID 105056213
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 114170957
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669775
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119855013
(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170932
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170925
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 94026406

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide (CID 106302459) is 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide is CCn1cnnc1CNC(=O)C(C)CCN.
What is the InChIKey of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide?
The InChIKey is VKPUNBKJXMQVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-15-7-13-14-9(15)6-12-10(16)8(2)4-5-11/h7-8H,3-6,11H2,1-2H3,(H,12,16).
What are the key properties of 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide?
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide has a molecular weight of 225.30 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 106302459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).