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

C7H12N4 — CID 62696618

IUPAC1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(N)c1nncn1C1CC1
InChIInChI=1S/C7H12N4/c1-5(8)7-10-9-4-11(7)6-2-3-6/h4-6H,2-3,8H2,1H3
InChIKeyYSWJLHDEXSYLMQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.63
Rot. Bonds2

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

1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 62696618) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID62696618
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(N)c1nncn1C1CC1
InChIInChI=1S/C7H12N4/c1-5(8)7-10-9-4-11(7)6-2-3-6/h4-6H,2-3,8H2,1H3
InChIKeyYSWJLHDEXSYLMQ-UHFFFAOYSA-N
XLogP0.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine (CID 62696618) is 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine is CC(N)c1nncn1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is YSWJLHDEXSYLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5(8)7-10-9-4-11(7)6-2-3-6/h4-6H,2-3,8H2,1H3.
What are the key properties of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine?
1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 152.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 62696618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).