(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C11H17N5O — CID 63653304

IUPAC(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC1C1CCCN1
InChIInChI=1S/C11H17N5O/c17-11(10-13-7-14-15-10)16-6-2-4-9(16)8-3-1-5-12-8/h7-9,12H,1-6H2,(H,13,14,15)
InChIKeyGTGQICFKNKPGPI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.16
Rot. Bonds2

About (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 63653304) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID63653304
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC1C1CCCN1
InChIInChI=1S/C11H17N5O/c17-11(10-13-7-14-15-10)16-6-2-4-9(16)8-3-1-5-12-8/h7-9,12H,1-6H2,(H,13,14,15)
InChIKeyGTGQICFKNKPGPI-UHFFFAOYSA-N
XLogP0.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 63653304) is (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCCC1C1CCCN1.
What is the InChIKey of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is GTGQICFKNKPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c17-11(10-13-7-14-15-10)16-6-2-4-9(16)8-3-1-5-12-8/h7-9,12H,1-6H2,(H,13,14,15).
What are the key properties of (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-2-ylpyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 63653304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).