N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide

C13H25N5O — CID 103108669

IUPACN-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1ncnn1CC(C)C
InChIInChI=1S/C13H25N5O/c1-6-17(5)13(19)11(4)14-7-12-15-9-16-18(12)8-10(2)3/h9-11,14H,6-8H2,1-5H3
InChIKeyMQBACMOPBQNQOZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.89
Rot. Bonds7

About N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide

N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide (PubChem CID 103108669) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
PubChem CID103108669
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1ncnn1CC(C)C
InChIInChI=1S/C13H25N5O/c1-6-17(5)13(19)11(4)14-7-12-15-9-16-18(12)8-10(2)3/h9-11,14H,6-8H2,1-5H3
InChIKeyMQBACMOPBQNQOZ-UHFFFAOYSA-N
XLogP0.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide 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

(2S)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 83195321
4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol
CID 104627997
3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-2-methylsulfanylbutan-1-ol
CID 106160760
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107455
(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 81409705
3-(dimethylamino)-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 79052168
4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-one
CID 114981841
2-chloro-4-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-amine
CID 107155976
2-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 102698021
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propanamide
CID 103107651
(1R)-1-(4-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81353293
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 79789679

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide (CID 103108669) is N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide is CCN(C)C(=O)C(C)NCc1ncnn1CC(C)C.
What is the InChIKey of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
The InChIKey is MQBACMOPBQNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-17(5)13(19)11(4)14-7-12-15-9-16-18(12)8-10(2)3/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide has a molecular weight of 267.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide is sourced from PubChem (CID 103108669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).