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

C11H21N5O — CID 62833078

IUPAC2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCNC(C)(C)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-6-12-11(3,4)10(17)14-8(2)9-15-13-7-16(9)5/h7-8,12H,6H2,1-5H3,(H,14,17)
InChIKeyPAPYMCPNJPJOBI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.38
Rot. Bonds5

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

2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 62833078) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID62833078
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCNC(C)(C)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-6-12-11(3,4)10(17)14-8(2)9-15-13-7-16(9)5/h7-8,12H,6H2,1-5H3,(H,14,17)
InChIKeyPAPYMCPNJPJOBI-UHFFFAOYSA-N
XLogP0.38
TPSA71.84 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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 62833078) is 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is CCNC(C)(C)C(=O)NC(C)c1nncn1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is PAPYMCPNJPJOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-6-12-11(3,4)10(17)14-8(2)9-15-13-7-16(9)5/h7-8,12H,6H2,1-5H3,(H,14,17).
What are the key properties of 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 62833078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).