5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine

C11H18N4O — CID 154783273

IUPAC5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine
SMILESC(CC1CCOC1)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-9(1)10-13-11(15-14-10)12-5-3-8-4-6-16-7-8/h8-9H,1-7H2,(H2,12,13,14,15)
InChIKeyRIGWXPABGLWZPT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.52
Rot. Bonds5

About 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine

5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine (PubChem CID 154783273) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine
PubChem CID154783273
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine
SMILESC(CC1CCOC1)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-9(1)10-13-11(15-14-10)12-5-3-8-4-6-16-7-8/h8-9H,1-7H2,(H2,12,13,14,15)
InChIKeyRIGWXPABGLWZPT-UHFFFAOYSA-N
XLogP1.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine (CID 154783273) is 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine is C(CC1CCOC1)Nc1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is RIGWXPABGLWZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-9(1)10-13-11(15-14-10)12-5-3-8-4-6-16-7-8/h8-9H,1-7H2,(H2,12,13,14,15).
What are the key properties of 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine?
5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 222.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 154783273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).