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

C10H19N5O — CID 43706348

IUPAC2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C10H19N5O/c1-4-5-8(11)10(16)13-7(2)9-14-12-6-15(9)3/h6-8H,4-5,11H2,1-3H3,(H,13,16)
InChIKeyUEWFXAXPIJIYQU-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.12
Rot. Bonds5

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

2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (PubChem CID 43706348) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
PubChem CID43706348
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1nncn1C
InChIInChI=1S/C10H19N5O/c1-4-5-8(11)10(16)13-7(2)9-14-12-6-15(9)3/h6-8H,4-5,11H2,1-3H3,(H,13,16)
InChIKeyUEWFXAXPIJIYQU-UHFFFAOYSA-N
XLogP0.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (CID 43706348) is 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1nncn1C.
What is the InChIKey of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The InChIKey is UEWFXAXPIJIYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-5-8(11)10(16)13-7(2)9-14-12-6-15(9)3/h6-8H,4-5,11H2,1-3H3,(H,13,16).
What are the key properties of 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide has a molecular weight of 225.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 43706348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).