N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine

C12H24N4 — CID 115897107

IUPACN-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine
SMILESCCc1nc(C(C)NC(CC)C(C)C)n[nH]1
InChIInChI=1S/C12H24N4/c1-6-10(8(3)4)13-9(5)12-14-11(7-2)15-16-12/h8-10,13H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyKEWXUZBQPUYTDC-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.45
Rot. Bonds6

About N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine

N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine (PubChem CID 115897107) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine
PubChem CID115897107
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine
SMILESCCc1nc(C(C)NC(CC)C(C)C)n[nH]1
InChIInChI=1S/C12H24N4/c1-6-10(8(3)4)13-9(5)12-14-11(7-2)15-16-12/h8-10,13H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyKEWXUZBQPUYTDC-UHFFFAOYSA-N
XLogP2.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine (CID 115897107) is N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine is CCc1nc(C(C)NC(CC)C(C)C)n[nH]1.
What is the InChIKey of N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine?
The InChIKey is KEWXUZBQPUYTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-10(8(3)4)13-9(5)12-14-11(7-2)15-16-12/h8-10,13H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine?
N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 115897107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).