1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C7H14N4 — CID 16763504

IUPAC1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(N)c1nncn1C(C)C
InChIInChI=1S/C7H14N4/c1-5(2)11-4-9-10-7(11)6(3)8/h4-6H,8H2,1-3H3
InChIKeyBFMMTUZSEYHRNP-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.88
Rot. Bonds2

About 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 16763504) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID16763504
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(N)c1nncn1C(C)C
InChIInChI=1S/C7H14N4/c1-5(2)11-4-9-10-7(11)6(3)8/h4-6H,8H2,1-3H3
InChIKeyBFMMTUZSEYHRNP-UHFFFAOYSA-N
XLogP0.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 16763504) is 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CC(N)c1nncn1C(C)C.
What is the InChIKey of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is BFMMTUZSEYHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)11-4-9-10-7(11)6(3)8/h4-6H,8H2,1-3H3.
What are the key properties of 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 154.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 16763504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).