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

C9H17N5 — CID 104605691

IUPAC5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCCC1(c2nc(N)n(C)n2)CCCN1
InChIInChI=1S/C9H17N5/c1-3-9(5-4-6-11-9)7-12-8(10)14(2)13-7/h11H,3-6H2,1-2H3,(H2,10,12,13)
InChIKeyNKSXGOVIRCIMOH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.39
Rot. Bonds2

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

5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605691) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605691
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCCC1(c2nc(N)n(C)n2)CCCN1
InChIInChI=1S/C9H17N5/c1-3-9(5-4-6-11-9)7-12-8(10)14(2)13-7/h11H,3-6H2,1-2H3,(H2,10,12,13)
InChIKeyNKSXGOVIRCIMOH-UHFFFAOYSA-N
XLogP0.39
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine (CID 104605691) is 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine is CCC1(c2nc(N)n(C)n2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is NKSXGOVIRCIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-9(5-4-6-11-9)7-12-8(10)14(2)13-7/h11H,3-6H2,1-2H3,(H2,10,12,13).
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine?
5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-2-yl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).