5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide

C15H18N6O — CID 171108232

IUPAC5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nncnc1Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C15H18N6O/c16-14(22)13-15(18-9-19-21-13)20-12-3-1-10(2-4-12)11-5-7-17-8-6-11/h1-4,9,11,17H,5-8H2,(H2,16,22)(H,18,19,20)
InChIKeyGJJMQLOGCWXUHE-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.18
Rot. Bonds4

About 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide

5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide (PubChem CID 171108232) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide
PubChem CID171108232
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nncnc1Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C15H18N6O/c16-14(22)13-15(18-9-19-21-13)20-12-3-1-10(2-4-12)11-5-7-17-8-6-11/h1-4,9,11,17H,5-8H2,(H2,16,22)(H,18,19,20)
InChIKeyGJJMQLOGCWXUHE-UHFFFAOYSA-N
XLogP1.18
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide?
The IUPAC name of 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide (CID 171108232) is 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide is NC(=O)c1nncnc1Nc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide?
The InChIKey is GJJMQLOGCWXUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c16-14(22)13-15(18-9-19-21-13)20-12-3-1-10(2-4-12)11-5-7-17-8-6-11/h1-4,9,11,17H,5-8H2,(H2,16,22)(H,18,19,20).
What are the key properties of 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide?
5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 171108232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).