2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide

C11H21N5O — CID 113270096

IUPAC2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
SMILESCCC(C)(CN)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c1-3-11(2,7-12)10(17)13-6-4-5-9-14-8-15-16-9/h8H,3-7,12H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyUUQRLBLECNCFPS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.23
Rot. Bonds7

About 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide

2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide (PubChem CID 113270096) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
PubChem CID113270096
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
SMILESCCC(C)(CN)C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H21N5O/c1-3-11(2,7-12)10(17)13-6-4-5-9-14-8-15-16-9/h8H,3-7,12H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyUUQRLBLECNCFPS-UHFFFAOYSA-N
XLogP0.23
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide 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-amino-2,2-dimethyl-3-sulfanylidene-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64529990
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 114293041
2,2-dimethyl-N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]propanamide
CID 64547456
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725332
(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
2-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64530178
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
propan-2-yl N-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 64530259
2-amino-2-cyclopropyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64532140
2-cyano-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 114291581

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide (CID 113270096) is 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide is CCC(C)(CN)C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The InChIKey is UUQRLBLECNCFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-11(2,7-12)10(17)13-6-4-5-9-14-8-15-16-9/h8H,3-7,12H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide has a molecular weight of 239.32 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide is sourced from PubChem (CID 113270096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).