N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine

C11H23N5 — CID 112597315

IUPACN,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine
SMILESCCNCC(C)c1nnc(NCC)n1CC
InChIInChI=1S/C11H23N5/c1-5-12-8-9(4)10-14-15-11(13-6-2)16(10)7-3/h9,12H,5-8H2,1-4H3,(H,13,15)
InChIKeyFPTKRDGZCHZOLI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.44
Rot. Bonds7

About N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine

N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine (PubChem CID 112597315) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine
PubChem CID112597315
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine
SMILESCCNCC(C)c1nnc(NCC)n1CC
InChIInChI=1S/C11H23N5/c1-5-12-8-9(4)10-14-15-11(13-6-2)16(10)7-3/h9,12H,5-8H2,1-4H3,(H,13,15)
InChIKeyFPTKRDGZCHZOLI-UHFFFAOYSA-N
XLogP1.44
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597470
5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 114282225
N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
CID 112597376
3-N,4-diethyl-1,2,4-triazole-3,5-diamine
CID 112597568
5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596633
N-ethyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 103294075
N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine
CID 112596687
5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597431
N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62851385
5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597567
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
CID 55123160
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 55123252

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine (CID 112597315) is N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine is CCNCC(C)c1nnc(NCC)n1CC.
What is the InChIKey of N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine?
The InChIKey is FPTKRDGZCHZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-5-12-8-9(4)10-14-15-11(13-6-2)16(10)7-3/h9,12H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine?
N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).