5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine

C14H29N5 — CID 112597431

IUPAC5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CCC(CCN)C(C)C)n1CC
InChIInChI=1S/C14H29N5/c1-5-16-14-18-17-13(19(14)6-2)8-7-12(9-10-15)11(3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyIBZPBHLLUZGMPY-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.28
Rot. Bonds9

About 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine

5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 112597431) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID112597431
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CCC(CCN)C(C)C)n1CC
InChIInChI=1S/C14H29N5/c1-5-16-14-18-17-13(19(14)6-2)8-7-12(9-10-15)11(3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyIBZPBHLLUZGMPY-UHFFFAOYSA-N
XLogP2.28
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.28
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
N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
CID 112597376
5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 114282225
3-N,4-diethyl-1,2,4-triazole-3,5-diamine
CID 112597568
N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
CID 112596739
ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate
CID 112597644
3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine
CID 65347749
N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596908
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-[[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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine (CID 112597431) is 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(CCC(CCN)C(C)C)n1CC.
What is the InChIKey of 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is IBZPBHLLUZGMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-5-16-14-18-17-13(19(14)6-2)8-7-12(9-10-15)11(3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine?
5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 267.42 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)-4-methylpentyl]-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).