N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine

C11H22N4 — CID 62721404

IUPACN-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCCc1nc(CCNC(C)(C)C)n(C)n1
InChIInChI=1S/C11H22N4/c1-6-9-13-10(15(5)14-9)7-8-12-11(2,3)4/h12H,6-8H2,1-5H3
InChIKeyPAYXXDWJSVSLQJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.31
Rot. Bonds4

About N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 62721404) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID62721404
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCCc1nc(CCNC(C)(C)C)n(C)n1
InChIInChI=1S/C11H22N4/c1-6-9-13-10(15(5)14-9)7-8-12-11(2,3)4/h12H,6-8H2,1-5H3
InChIKeyPAYXXDWJSVSLQJ-UHFFFAOYSA-N
XLogP1.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62722491
4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 62722497
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
N-tert-butyl-3-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylbutan-1-amine
CID 79408993
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82467863
3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 62720337
2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62722485
4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine
CID 115825958
4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 62722337
N-tert-butyl-1-methyl-5-[3-(methylamino)propyl]-1,2,4-triazol-3-amine
CID 165343772
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine
CID 62720706
2-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62722847

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine (CID 62721404) is N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine is CCc1nc(CCNC(C)(C)C)n(C)n1.
What is the InChIKey of N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is PAYXXDWJSVSLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-9-13-10(15(5)14-9)7-8-12-11(2,3)4/h12H,6-8H2,1-5H3.
What are the key properties of N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62721404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).