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

C11H21N5O — CID 43706334

IUPAC2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-5-7(2)9(12)11(17)14-8(3)10-15-13-6-16(10)4/h6-9H,5,12H2,1-4H3,(H,14,17)
InChIKeyWSVYZNZWWYNPPS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds5

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

2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (PubChem CID 43706334) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
PubChem CID43706334
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H21N5O/c1-5-7(2)9(12)11(17)14-8(3)10-15-13-6-16(10)4/h6-9H,5,12H2,1-4H3,(H,14,17)
InChIKeyWSVYZNZWWYNPPS-UHFFFAOYSA-N
XLogP0.37
TPSA85.83 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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylbutan-2-yl)urea
CID 47218838
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
1-(3-Methylbutyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53505222
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 53517601
({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
CID 70731082
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71855011
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71892934
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (CID 43706334) is 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is CCC(C)C(N)C(=O)NC(C)c1nncn1C.
What is the InChIKey of 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The InChIKey is WSVYZNZWWYNPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-7(2)9(12)11(17)14-8(3)10-15-13-6-16(10)4/h6-9H,5,12H2,1-4H3,(H,14,17).
What are the key properties of 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 43706334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).