5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

C10H19N5 — CID 112597280

IUPAC5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCC1(c2nnc(NC)n2C)CCNC1
InChIInChI=1S/C10H19N5/c1-4-10(5-6-12-7-10)8-13-14-9(11-2)15(8)3/h12H,4-7H2,1-3H3,(H,11,14)
InChIKeyAIXIBYFMIVUEGI-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.50
Rot. Bonds3

About 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597280) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597280
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCC1(c2nnc(NC)n2C)CCNC1
InChIInChI=1S/C10H19N5/c1-4-10(5-6-12-7-10)8-13-14-9(11-2)15(8)3/h12H,4-7H2,1-3H3,(H,11,14)
InChIKeyAIXIBYFMIVUEGI-UHFFFAOYSA-N
XLogP0.50
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597280) is 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is CCC1(c2nnc(NC)n2C)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is AIXIBYFMIVUEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-4-10(5-6-12-7-10)8-13-14-9(11-2)15(8)3/h12H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 209.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).