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

C8H16N4 — CID 62693874

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nncn1C
InChIInChI=1S/C8H16N4/c1-7(2)9-5-4-8-11-10-6-12(8)3/h6-7,9H,4-5H2,1-3H3
InChIKeyODIAYWMYRNVYAE-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds4

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (PubChem CID 62693874) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
PubChem CID62693874
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nncn1C
InChIInChI=1S/C8H16N4/c1-7(2)9-5-4-8-11-10-6-12(8)3/h6-7,9H,4-5H2,1-3H3
InChIKeyODIAYWMYRNVYAE-UHFFFAOYSA-N
XLogP0.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (CID 62693874) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is CC(C)NCCc1nncn1C.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The InChIKey is ODIAYWMYRNVYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(2)9-5-4-8-11-10-6-12(8)3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 62693874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).