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

C7H14N4 — CID 18349040

IUPACN-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCn1cncn1
InChIInChI=1S/C7H14N4/c1-7(2)9-3-4-11-6-8-5-10-11/h5-7,9H,3-4H2,1-2H3
InChIKeyVOVCQXFSFWCRIJ-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.28
Rot. Bonds4

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

N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (PubChem CID 18349040) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
PubChem CID18349040
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCn1cncn1
InChIInChI=1S/C7H14N4/c1-7(2)9-3-4-11-6-8-5-10-11/h5-7,9H,3-4H2,1-2H3
InChIKeyVOVCQXFSFWCRIJ-UHFFFAOYSA-N
XLogP0.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (CID 18349040) is N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is CC(C)NCCn1cncn1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The InChIKey is VOVCQXFSFWCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2)9-3-4-11-6-8-5-10-11/h5-7,9H,3-4H2,1-2H3.
What are the key properties of N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 18349040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).