6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one

C14H17N5O — CID 135427810

IUPAC6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C14H17N5O/c1-11-13(20)15-14(17-16-11)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17,20)
InChIKeyRRSBVHMJCFEPDV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.80
Rot. Bonds2

About 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one

6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one (PubChem CID 135427810) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
PubChem CID135427810
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C14H17N5O/c1-11-13(20)15-14(17-16-11)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17,20)
InChIKeyRRSBVHMJCFEPDV-UHFFFAOYSA-N
XLogP0.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one (CID 135427810) is 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one is Cc1nnc(N2CCN(c3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
The InChIKey is RRSBVHMJCFEPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-11-13(20)15-14(17-16-11)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17,20).
What are the key properties of 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one has a molecular weight of 271.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-phenylpiperazin-1-yl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135427810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).