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

C11H20N6O2 — CID 62119208

IUPACN-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC(C)c1nncn1C
InChIInChI=1S/C11H20N6O2/c1-5-12-11(19)15-10(18)8(3)14-7(2)9-16-13-6-17(9)4/h6-8,14H,5H2,1-4H3,(H2,12,15,18,19)
InChIKeyUPDBFGDGDKFSJK-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.30
Rot. Bonds5

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

N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (PubChem CID 62119208) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
PubChem CID62119208
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC NameN-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC(C)c1nncn1C
InChIInChI=1S/C11H20N6O2/c1-5-12-11(19)15-10(18)8(3)14-7(2)9-16-13-6-17(9)4/h6-8,14H,5H2,1-4H3,(H2,12,15,18,19)
InChIKeyUPDBFGDGDKFSJK-UHFFFAOYSA-N
XLogP-0.30
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
CID 103248684
N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62118292
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394
(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 62833078

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (CID 62119208) is N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is CCNC(=O)NC(=O)C(C)NC(C)c1nncn1C.
What is the InChIKey of N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The InChIKey is UPDBFGDGDKFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-5-12-11(19)15-10(18)8(3)14-7(2)9-16-13-6-17(9)4/h6-8,14H,5H2,1-4H3,(H2,12,15,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide has a molecular weight of 268.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 62119208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).