1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine

C12H24N4 — CID 105002075

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
SMILESCCCCCCC(N)Cc1ncnn1CC
InChIInChI=1S/C12H24N4/c1-3-5-6-7-8-11(13)9-12-14-10-15-16(12)4-2/h10-11H,3-9,13H2,1-2H3
InChIKeyPGWNVBHGYUOTAN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.14
Rot. Bonds8

About 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine

1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine (PubChem CID 105002075) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
PubChem CID105002075
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
SMILESCCCCCCC(N)Cc1ncnn1CC
InChIInChI=1S/C12H24N4/c1-3-5-6-7-8-11(13)9-12-14-10-15-16(12)4-2/h10-11H,3-9,13H2,1-2H3
InChIKeyPGWNVBHGYUOTAN-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
5-ethoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 105160833
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103544076
1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002012
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
1-(3,4-difluorophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002128
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine (CID 105002075) is 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine is CCCCCCC(N)Cc1ncnn1CC.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine?
The InChIKey is PGWNVBHGYUOTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-5-6-7-8-11(13)9-12-14-10-15-16(12)4-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine?
1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine is sourced from PubChem (CID 105002075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).