2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one

C14H21N7O — CID 45238036

IUPAC2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one
SMILESCC(Cn1cncn1)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H21N7O/c1-12(9-21-11-15-10-17-21)19-3-5-20(6-4-19)13-7-14(22)18(2)16-8-13/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyOVXDNEYADGMMJT-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.42
Rot. Bonds4

About 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one (PubChem CID 45238036) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one
PubChem CID45238036
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one
SMILESCC(Cn1cncn1)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H21N7O/c1-12(9-21-11-15-10-17-21)19-3-5-20(6-4-19)13-7-14(22)18(2)16-8-13/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyOVXDNEYADGMMJT-UHFFFAOYSA-N
XLogP-0.42
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one (CID 45238036) is 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one is CC(Cn1cncn1)N1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is OVXDNEYADGMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-12(9-21-11-15-10-17-21)19-3-5-20(6-4-19)13-7-14(22)18(2)16-8-13/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 303.37 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 45238036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).