1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

C13H23N5O — CID 102793222

IUPAC1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESCC1OC(C)C(c2nc(N3CCC(N)C3)n[nH]2)C1C
InChIInChI=1S/C13H23N5O/c1-7-8(2)19-9(3)11(7)12-15-13(17-16-12)18-5-4-10(14)6-18/h7-11H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyLNLLDCVQUKYQJY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.87
Rot. Bonds2

About 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (PubChem CID 102793222) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
PubChem CID102793222
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESCC1OC(C)C(c2nc(N3CCC(N)C3)n[nH]2)C1C
InChIInChI=1S/C13H23N5O/c1-7-8(2)19-9(3)11(7)12-15-13(17-16-12)18-5-4-10(14)6-18/h7-11H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyLNLLDCVQUKYQJY-UHFFFAOYSA-N
XLogP0.87
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine with MolForge

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Related Compounds

1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793360
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793322
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
1-[5-(1,1-dioxothian-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793327
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793344
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
1-[5-(1-methylcyclohexyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 106826728
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (CID 102793222) is 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is CC1OC(C)C(c2nc(N3CCC(N)C3)n[nH]2)C1C.
What is the InChIKey of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The InChIKey is LNLLDCVQUKYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-7-8(2)19-9(3)11(7)12-15-13(17-16-12)18-5-4-10(14)6-18/h7-11H,4-6,14H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine has a molecular weight of 265.36 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 102793222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).