N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine

C11H22N4 — CID 62851385

IUPACN-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCc1nc(C(C)CNCC)n(C)n1
InChIInChI=1S/C11H22N4/c1-5-7-10-13-11(15(4)14-10)9(3)8-12-6-2/h9,12H,5-8H2,1-4H3
InChIKeyGPJVKGGQTYVJDW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds6

About N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine

N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62851385) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62851385
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCc1nc(C(C)CNCC)n(C)n1
InChIInChI=1S/C11H22N4/c1-5-7-10-13-11(15(4)14-10)9(3)8-12-6-2/h9,12H,5-8H2,1-4H3
InChIKeyGPJVKGGQTYVJDW-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine (CID 62851385) is N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine is CCCc1nc(C(C)CNCC)n(C)n1.
What is the InChIKey of N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is GPJVKGGQTYVJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-7-10-13-11(15(4)14-10)9(3)8-12-6-2/h9,12H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine?
N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62851385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).