N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine

C11H22N4O — CID 115725055

IUPACN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine
SMILESCCc1nncn1CCNC(C)C(C)OC
InChIInChI=1S/C11H22N4O/c1-5-11-14-13-8-15(11)7-6-12-9(2)10(3)16-4/h8-10,12H,5-7H2,1-4H3
InChIKeyCDPHFTPUWVBMCG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.85
Rot. Bonds7

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

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115725055) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine
PubChem CID115725055
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine
SMILESCCc1nncn1CCNC(C)C(C)OC
InChIInChI=1S/C11H22N4O/c1-5-11-14-13-8-15(11)7-6-12-9(2)10(3)16-4/h8-10,12H,5-7H2,1-4H3
InChIKeyCDPHFTPUWVBMCG-UHFFFAOYSA-N
XLogP0.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
CID 115725048
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine
CID 115906006
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111822187
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(3-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 111494748
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
CID 115656753
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 111495001
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylprop-2-enyl)-3-propan-2-ylguanidine;hydroiodide
CID 111510335
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
CID 62565130
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95981358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine (CID 115725055) is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine is CCc1nncn1CCNC(C)C(C)OC.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is CDPHFTPUWVBMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-11-14-13-8-15(11)7-6-12-9(2)10(3)16-4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine?
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115725055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).