(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone

C10H16N4O — CID 130530173

IUPAC(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCCn1ncnc1C(=O)C1(C)CCCN1
InChIInChI=1S/C10H16N4O/c1-3-14-9(11-7-13-14)8(15)10(2)5-4-6-12-10/h7,12H,3-6H2,1-2H3
InChIKeyWUBNMHFHLSDXQY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.62
Rot. Bonds3

About (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone

(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 130530173) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID130530173
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCCn1ncnc1C(=O)C1(C)CCCN1
InChIInChI=1S/C10H16N4O/c1-3-14-9(11-7-13-14)8(15)10(2)5-4-6-12-10/h7,12H,3-6H2,1-2H3
InChIKeyWUBNMHFHLSDXQY-UHFFFAOYSA-N
XLogP0.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone (CID 130530173) is (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone is CCn1ncnc1C(=O)C1(C)CCCN1.
What is the InChIKey of (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is WUBNMHFHLSDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-14-9(11-7-13-14)8(15)10(2)5-4-6-12-10/h7,12H,3-6H2,1-2H3.
What are the key properties of (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone?
(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 130530173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).