N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine

C9H19N5 — CID 112597376

IUPACN,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
SMILESCCNCc1nnc(NCC)n1CC
InChIInChI=1S/C9H19N5/c1-4-10-7-8-12-13-9(11-5-2)14(8)6-3/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeyJJVBBMBOWCKAPH-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.84
Rot. Bonds6

About N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine (PubChem CID 112597376) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
PubChem CID112597376
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
SMILESCCNCc1nnc(NCC)n1CC
InChIInChI=1S/C9H19N5/c1-4-10-7-8-12-13-9(11-5-2)14(8)6-3/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeyJJVBBMBOWCKAPH-UHFFFAOYSA-N
XLogP0.84
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate
CID 112597644
3-N,4-diethyl-1,2,4-triazole-3,5-diamine
CID 112597568
N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine
CID 112597315
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
CID 112596739
N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine
CID 112597464
5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596633
5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597431
5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 114282225
N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596908
5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597567
(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104912666

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine (CID 112597376) is N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine is CCNCc1nnc(NCC)n1CC.
What is the InChIKey of N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine?
The InChIKey is JJVBBMBOWCKAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-10-7-8-12-13-9(11-5-2)14(8)6-3/h10H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine has a molecular weight of 197.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).