(1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C14H19N5O — CID 53192706

IUPAC(1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C14H19N5O/c1-17-7-4-6-12(17)14(20)19-8-3-5-11(9-19)13-16-15-10-18(13)2/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyQKQBMZRJQUKPOH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192706) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192706
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C14H19N5O/c1-17-7-4-6-12(17)14(20)19-8-3-5-11(9-19)13-16-15-10-18(13)2/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyQKQBMZRJQUKPOH-UHFFFAOYSA-N
XLogP1.17
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192706) is (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cn1cccc1C(=O)N1CCCC(c2nncn2C)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is QKQBMZRJQUKPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-17-7-4-6-12(17)14(20)19-8-3-5-11(9-19)13-16-15-10-18(13)2/h4,6-7,10-11H,3,5,8-9H2,1-2H3.
What are the key properties of (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).