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

C12H24N4 — CID 50978226

IUPACN-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCc1nncn1C(C)C
InChIInChI=1S/C12H24N4/c1-5-11(6-2)13-8-7-12-15-14-9-16(12)10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyASJYMURGMLIYQQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.18
Rot. Bonds7

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

N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine (PubChem CID 50978226) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
PubChem CID50978226
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCc1nncn1C(C)C
InChIInChI=1S/C12H24N4/c1-5-11(6-2)13-8-7-12-15-14-9-16(12)10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyASJYMURGMLIYQQ-UHFFFAOYSA-N
XLogP2.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine (CID 50978226) is N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine is CCC(CC)NCCc1nncn1C(C)C.
What is the InChIKey of N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The InChIKey is ASJYMURGMLIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-11(6-2)13-8-7-12-15-14-9-16(12)10(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 50978226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).