6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine

C12H24N4 — CID 65285160

IUPAC6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
SMILESCCc1nc(C(C)CCCC(C)N)n(C)n1
InChIInChI=1S/C12H24N4/c1-5-11-14-12(16(4)15-11)9(2)7-6-8-10(3)13/h9-10H,5-8,13H2,1-4H3
InChIKeyQIUWBDIAYIMENK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.00
Rot. Bonds6

About 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine

6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine (PubChem CID 65285160) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
PubChem CID65285160
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
SMILESCCc1nc(C(C)CCCC(C)N)n(C)n1
InChIInChI=1S/C12H24N4/c1-5-11-14-12(16(4)15-11)9(2)7-6-8-10(3)13/h9-10H,5-8,13H2,1-4H3
InChIKeyQIUWBDIAYIMENK-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
The IUPAC name of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine (CID 65285160) is 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine.
What is the SMILES notation for 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
The canonical SMILES for 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine is CCc1nc(C(C)CCCC(C)N)n(C)n1.
What is the InChIKey of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
The InChIKey is QIUWBDIAYIMENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-11-14-12(16(4)15-11)9(2)7-6-8-10(3)13/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine?
6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine is sourced from PubChem (CID 65285160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).