4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one

C15H24N6O — CID 73425904

IUPAC4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one
SMILESCc1nn(CN2CCCCC2)c(=O)n1CCCn1ccnc1
InChIInChI=1S/C15H24N6O/c1-14-17-21(13-19-7-3-2-4-8-19)15(22)20(14)10-5-9-18-11-6-16-12-18/h6,11-12H,2-5,7-10,13H2,1H3
InChIKeyMQWHXHKNVPLFGT-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.08
Rot. Bonds6

About 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one

4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one (PubChem CID 73425904) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one
PubChem CID73425904
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one
SMILESCc1nn(CN2CCCCC2)c(=O)n1CCCn1ccnc1
InChIInChI=1S/C15H24N6O/c1-14-17-21(13-19-7-3-2-4-8-19)15(22)20(14)10-5-9-18-11-6-16-12-18/h6,11-12H,2-5,7-10,13H2,1H3
InChIKeyMQWHXHKNVPLFGT-UHFFFAOYSA-N
XLogP1.08
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one (CID 73425904) is 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one is Cc1nn(CN2CCCCC2)c(=O)n1CCCn1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one?
The InChIKey is MQWHXHKNVPLFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-14-17-21(13-19-7-3-2-4-8-19)15(22)20(14)10-5-9-18-11-6-16-12-18/h6,11-12H,2-5,7-10,13H2,1H3.
What are the key properties of 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one?
4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one has a molecular weight of 304.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropyl)-5-methyl-2-(piperidin-1-ylmethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 73425904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).